data_2n6l_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 2n6l _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 ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 149.07 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.76 139.07 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.64 15.39 53.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.699 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.48 146.53 50.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -108.47 121.52 45.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.99 137.65 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 pt -102.23 153.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.02 137.51 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.02 156.84 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.0 -161.55 16.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -131.48 138.45 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 112.08 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.2 111.6 4.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.653 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.2 127.44 55.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.623 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -144.92 151.44 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.141 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 61' ' ' LEU . 36.1 p90 -132.96 117.39 17.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.52 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -94.82 140.02 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.44 104.2 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.542 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.4 ttt -64.72 123.37 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -137.91 97.29 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.154 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.04 -175.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 32.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -34.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.665 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.57 149.19 22.24 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.987 0.422 . . . . 0.0 111.422 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.34 95.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.69 122.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.362 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -132.57 147.97 52.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -108.19 135.14 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 m -105.26 139.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.67 146.5 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.97 163.61 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.775 0.24 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.46 115.47 22.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.67 140.82 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.99 118.38 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.37 119.2 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.39 141.49 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -128.14 150.13 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.78 80.97 14.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.93 -51.06 5.16 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.651 2.234 . . . . 0.0 112.259 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.9 30.96 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.43 131.21 10.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.12 37.84 0.91 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.9 t -122.86 175.18 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -95.43 18.37 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -77.99 147.52 34.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.71 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -124.09 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -143.75 97.77 5.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HG3' ' CE1' ' A' ' 152' ' ' PHE . 23.9 Cg_exo -63.87 171.12 7.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.564 2.176 . . . . 0.0 112.229 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 10.2 p90 -163.29 155.2 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.0 129.36 9.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.3 155.79 20.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 129.59 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.17 164.48 13.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.37 169.9 30.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.44 142.41 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.35 152.49 27.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -142.77 161.11 27.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.53 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -124.18 113.89 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -95.41 129.3 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -119.11 118.98 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 8.1 mtt -86.63 116.23 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.42 -19.37 12.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.15 -69.92 0.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.35 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.43 -27.66 31.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -99.28 26.76 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.182 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 64.43 -158.83 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.69 118.3 32.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.62 118.05 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -119.32 154.83 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.79 158.86 43.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.17 125.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.3 158.25 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.42 120.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.38 127.47 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.38 -163.1 15.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -123.92 173.9 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.17 173.63 30.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.97 139.6 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 128.0 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 16.1 p80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -133.9 162.05 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.73 134.42 47.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.56 15.62 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.744 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.98 143.06 39.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.48 122.62 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mm -139.44 142.56 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.53 143.58 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.24 135.66 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.86 150.61 18.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.42 156.68 22.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.542 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.33 141.03 26.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.786 0.327 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.68 146.71 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.21 105.13 2.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.14 127.72 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.7 p -136.49 148.21 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 111.264 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.77 109.81 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.451 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -94.86 127.03 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 111.396 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -118.24 100.77 7.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.329 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mtt -65.0 135.14 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.437 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.4 m-85 -136.95 97.18 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 68.85 -177.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.006 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.73 27.86 2.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -35.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.778 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.406 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -94.84 158.91 15.29 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.041 0.448 . . . . 0.0 111.51 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 158.08 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -148.7 138.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.944 0.402 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.77 150.34 51.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -116.99 150.39 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.17 142.05 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.75 128.45 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.23 141.26 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.764 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.787 0.245 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.7 m -72.92 127.75 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.33 152.04 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mp -146.3 157.76 43.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.0 161.44 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -141.06 123.04 15.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -135.3 150.31 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -102.53 104.72 39.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.05 -51.05 2.42 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 31.08 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.65 152.72 25.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.92 28.07 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -115.38 -173.78 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -95.66 18.3 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 p -81.52 158.79 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.77 -59.38 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -75.84 143.49 41.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -128.52 107.29 19.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.84 174.05 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.413 2.075 . . . . 0.0 112.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 101.05 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.28 97.7 2.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.32 141.46 15.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.64 129.48 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.87 135.62 12.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.331 . . . . 0.0 111.137 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.14 132.01 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.75 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.74 122.25 47.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.72 153.32 16.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -123.07 99.44 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.49 143.42 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -154.04 120.43 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.0 ttt -64.63 130.64 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -111.75 -19.97 12.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.285 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.2 -69.52 0.14 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.727 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.408 ' CG ' HD23 ' A' ' 156' ' ' LEU . 18.7 m170 -105.41 30.19 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.67 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 151.86 41.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -144.43 126.75 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.588 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -143.12 171.7 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.9 ttt -131.51 160.13 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.678 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -128.61 137.04 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.77 135.97 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 ttt -107.66 114.8 29.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.86 133.42 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.67 176.62 32.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.611 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -127.87 175.8 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -135.4 171.35 22.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.7 159.75 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 123.76 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -162.04 163.28 28.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.03 121.38 29.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.51 15.4 23.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.684 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.96 145.49 48.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.02 121.61 41.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 mm -126.03 130.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.62 142.91 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -154.71 156.69 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.36 145.39 9.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.17 -137.19 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -147.68 161.9 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.94 124.68 23.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.19 112.9 3.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.5 137.75 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.322 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.9 m -136.33 136.96 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.078 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -127.7 108.07 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.692 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -104.13 128.34 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -105.87 100.87 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 131.04 49.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.92 97.23 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.183 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.87 -172.62 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.286 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.0 31.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.497 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -150.4 -37.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -94.8 145.99 24.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.978 0.418 . . . . 0.0 111.469 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.87 128.85 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.355 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.88 122.87 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -118.64 139.66 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mp -107.85 147.3 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.62 124.94 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.39 149.85 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.55 161.51 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.843 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.81 0.254 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.72 114.18 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 tp -106.67 128.02 53.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 tt -114.82 128.31 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 tp -80.32 149.06 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -134.96 131.74 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -130.58 150.18 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 111' ' ' TYR . 4.1 m-85 -107.38 76.04 0.49 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.27 -43.17 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.2 ptp -126.33 33.31 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.7 130.42 10.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.13 57.76 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.5 -178.61 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -96.52 18.43 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -60.9 143.36 55.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.93 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -122.02 127.98 50.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 88.12 2.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 134.89 30.47 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 99' ' ' TYR . 29.0 m-85 -125.14 139.56 53.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.62 146.45 48.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.516 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.52 119.84 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -131.17 129.59 41.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.84 117.57 7.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -161.34 152.09 22.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.2 158.1 21.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.93 129.26 55.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.15 159.35 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.67 100.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.92 134.13 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -147.17 122.61 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 5.6 ttt -71.11 124.16 23.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -4.09 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 64.81 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.72 -42.53 88.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.7 28.46 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 205' ' ' TYR . . . 61.63 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.7 mp -148.9 167.47 25.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.35 133.93 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.11 142.57 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 62.3 mtp -142.81 142.69 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -128.73 134.13 48.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.77 160.42 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 41.8 mtp -126.77 137.12 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.9 pt -157.17 133.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.38 -173.31 42.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.557 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -121.8 166.9 13.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.77 -167.61 11.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.65 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . 0.419 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -157.7 122.58 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.011 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.61 130.39 35.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.813 0.34 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -152.88 -173.18 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.24 115.49 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.48 9.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.772 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.51 123.93 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.958 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -115.07 137.98 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.0 mm -139.27 146.16 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.74 121.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 203' ' ' PHE . 0.0 OUTLIER -101.91 138.14 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.78 112.93 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.42 -140.11 2.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.572 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -139.29 145.42 39.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 102.58 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.62 114.21 5.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.42 127.57 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.4 m -146.0 144.69 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -113.08 125.48 54.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.76 121.95 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -136.64 103.09 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ptp -117.16 158.0 24.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.934 0.397 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.32 97.32 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 70.0 -169.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.73 45.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.09 -45.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -95.53 159.21 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.52 141.14 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.18 141.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -146.95 151.56 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 111.382 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.02 125.0 34.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.665 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.83 153.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.963 0.411 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.83 124.28 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.69 163.64 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.271 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.872 0.28 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 133.15 47.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.7 123.38 48.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.6 130.31 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.755 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.95 129.12 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -111.89 141.18 45.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -149.55 133.97 17.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -141.28 94.63 7.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.6 -47.15 17.29 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.566 2.178 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.2 mtp -112.57 33.4 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.24 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.12 124.31 8.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.67 49.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 p -97.22 -170.82 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -95.11 18.37 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -94.9 174.36 7.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.57 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -76.62 117.06 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -113.32 110.61 50.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.04 137.19 40.25 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.425 2.084 . . . . 0.0 112.231 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -138.41 122.55 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.97 150.63 21.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tt -144.76 137.67 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.67 129.45 9.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.557 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.151 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.783 0.325 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.55 168.65 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.592 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -157.0 146.67 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.93 144.75 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.73 137.5 9.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -116.53 133.94 55.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 113.14 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -109.07 105.64 15.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.46 122.85 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.5 -23.66 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.57 -69.67 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.88 -32.28 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 30.7 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 66.98 -145.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.795 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 204' ' ' GLY . 3.7 mm? -116.38 139.37 50.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.809 0.338 . . . . 0.0 110.645 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.68 120.73 36.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.013 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -110.58 123.5 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.8 mtt -116.93 155.12 29.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -151.13 103.67 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.34 120.95 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.233 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.7 mtt -115.07 123.41 48.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.48 142.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.0 -162.64 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 83.7 m-85 -121.62 175.7 6.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.738 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 161' ' ' LEU . . . -143.38 131.46 4.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.602 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.15 138.02 51.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -107.63 140.9 39.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.836 0.35 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -139.11 -178.41 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.77 127.23 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.64 15.36 8.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.703 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 123.68 25.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' OH ' ' A' ' 51' ' ' TYR . 48.4 m-85 -103.54 123.53 47.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 pt -140.61 149.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 HD13 ' CE2' ' A' ' 49' ' ' PHE . 7.1 tp -111.66 144.02 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -133.65 146.14 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.8 159.0 31.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.03 -142.44 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.554 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -143.85 162.0 37.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 110.765 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 109.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 109.95 3.09 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.604 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.08 127.54 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -147.45 140.47 25.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.22 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 9' ' ' ILE . 88.8 m-85 -120.81 115.4 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -103.39 129.86 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 111.249 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.404 ' OH ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 t80 -111.59 120.02 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.579 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 127.46 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.64 97.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.062 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 71.53 -176.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.235 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.48 29.14 2.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -150.46 -36.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.678 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -93.7 146.31 23.94 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.005 0.431 . . . . 0.0 111.584 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.19 160.2 31.46 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.262 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.57 146.12 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 0.0 111.22 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -138.63 121.48 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.45 132.78 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.6 151.78 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.24 126.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.29 163.66 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 120.833 0.264 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.66 136.44 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.48 155.28 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 mt -109.86 168.17 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -136.6 120.37 17.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -128.96 120.79 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -55.4 109.0 1.34 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.95 -50.75 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 112.307 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 27.38 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.92 152.95 43.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.84 42.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.06 175.37 13.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -103.05 18.3 22.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -62.77 149.83 42.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.04 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -92.63 135.87 33.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.77 74.4 78.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.19 147.18 91.83 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.691 2.261 . . . . 0.0 112.159 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CE1' ' HA3' ' A' ' 151' ' ' GLY . 43.3 p90 -142.36 153.4 43.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.75 155.92 17.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.549 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.47 132.04 6.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.38 129.61 56.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.18 128.87 9.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.549 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.41 137.6 9.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 152.89 51.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.4 127.63 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.411 ' HA3' ' CE1' ' A' ' 111' ' ' TYR . . . -119.89 166.73 13.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.553 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 152' ' ' PHE . 4.0 m-85 -131.01 128.71 40.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.97 139.84 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -133.67 126.59 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.764 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.8 ttp -102.7 115.01 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.16 -17.18 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.0 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.04 -72.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.88 -28.13 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.105 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.35 32.25 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 59.0 -163.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -116.73 148.52 41.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.57 141.38 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.785 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -139.83 120.73 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.68 162.96 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -156.44 137.98 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.23 152.14 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.8 t90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.0 mtt -143.41 119.39 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.19 126.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.36 -162.79 14.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.57 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.25 178.57 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.95 162.62 29.47 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.43 151.11 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -113.47 133.17 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -105.8 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 116.99 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.412 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 116.11 15.59 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.702 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.76 147.08 43.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.52 124.26 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.13 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.86 141.71 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -153.78 164.46 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.37 144.47 8.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.67 -171.45 15.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.93 161.96 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 135.86 56.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.4 97.98 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.666 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp -102.54 150.85 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -150.85 155.83 39.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.403 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -128.36 117.07 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -94.78 125.35 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.316 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 4.6 t80 -111.04 100.92 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.11 127.59 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -137.93 97.24 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 69.3 177.78 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.204 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.12 33.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.806 0.336 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -150.41 -34.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.637 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -99.52 149.88 22.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 111.487 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.55 119.18 0.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.69 149.34 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.344 . . . . 0.0 111.186 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -140.87 138.54 34.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.04 150.43 27.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.41 140.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.16 137.73 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.36 163.7 32.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.862 0.276 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 114.26 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 128.95 51.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.89 124.87 25.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.75 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.8 131.99 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -125.7 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.88 150.24 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 m-85 -105.65 101.84 34.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 -51.11 5.98 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.539 2.16 . . . . 0.0 112.322 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.22 33.33 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.11 121.03 11.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.84 44.94 1.07 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p -132.06 -171.91 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -92.71 18.3 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p -73.12 146.57 45.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.06 -50.94 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -91.27 145.2 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.37 75.93 2.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.91 134.05 19.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 19.0 p90 -122.87 134.38 54.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.8 20.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.98 -147.0 7.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 152.48 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.22 178.92 16.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.862 0.363 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -66.57 161.98 45.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -168.23 139.79 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.04 128.22 44.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -121.28 149.19 17.35 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.404 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -108.04 116.92 32.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -95.05 109.44 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -119.5 109.42 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.57 139.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -38.36 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.67 -2.02 2.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.58 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.95 -44.11 12.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -136.26 -32.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.513 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -176.66 -163.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.6 mt -116.67 138.94 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.61 146.22 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.74 144.0 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.84 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.19 132.73 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.63 137.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.2 mtm -112.23 129.83 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.03 141.57 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.73 -162.93 27.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.558 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -133.08 176.38 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.4 -161.44 13.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -156.29 159.66 39.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.06 137.23 54.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -162.27 153.21 17.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 132.98 52.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.49 15.4 32.3 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.739 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.17 147.02 53.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -120.11 115.47 23.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.36 140.78 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -95.24 152.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.89 135.19 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.01 144.69 15.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.74 148.57 18.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.84 118.25 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.778 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.23 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.62 103.89 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.2 111.3 3.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.41 127.49 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.749 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.6 p -141.2 150.7 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . 5.7 m-85 -126.6 123.13 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.66 110.09 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 49' ' ' PHE . 12.0 m-85 -101.76 100.94 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 132.26 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -131.53 97.2 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.239 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.19 -173.77 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.268 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -94.71 33.02 1.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.635 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -150.25 -35.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.954 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -103.35 142.58 33.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.569 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.92 125.34 1.88 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.153 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 t -100.73 144.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.289 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.13 121.81 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.28 148.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.57 147.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.24 131.14 3.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 163.48 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.2 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.465 -0.175 0 CA-C-O 120.869 0.279 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.6 m -114.41 122.42 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.7 tp -97.69 140.54 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 tt -139.34 153.51 47.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.51 142.41 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.56 149.08 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -112.99 150.13 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HA3' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -116.62 78.75 9.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 -45.64 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.525 2.15 . . . . 0.0 112.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.62 30.59 5.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 99' ' ' TYR . . . -96.17 129.68 9.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.39 64.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.85 179.07 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -96.37 18.36 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.1 p -80.88 139.53 35.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.33 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.81 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 152' ' ' PHE . 0.4 OUTLIER -84.93 113.65 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -133.6 97.74 15.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.407 ' HB3' ' CD2' ' A' ' 152' ' ' PHE . 58.2 Cg_endo -71.63 -179.59 3.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.489 2.126 . . . . 0.0 112.195 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -175.82 169.84 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.75 163.63 30.99 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.14 93.9 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mp -111.44 135.24 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.38 137.95 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.426 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.51 146.16 18.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -146.02 157.21 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.55 132.28 54.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.74 141.49 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.652 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 85.6 m-85 -130.35 104.3 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.761 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.75 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -127.93 121.31 29.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 19.0 mtt -79.5 110.34 14.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.88 -19.32 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.67 -79.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.19 -27.74 67.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -117.94 33.85 5.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.88 -147.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.55 141.78 47.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.813 0.34 . . . . 0.0 110.734 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.68 117.88 31.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -102.19 105.64 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 19.5 ttt -110.41 129.93 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -128.72 126.9 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.201 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.409 HG13 ' CE1' ' A' ' 199' ' ' TYR . 15.3 m -129.95 145.78 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.041 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.409 ' CE1' HG13 ' A' ' 166' ' ' VAL . 5.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -109.72 117.18 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.56 145.23 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.7 23.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.85 166.3 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.79 155.18 26.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -159.56 123.91 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 139.82 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.7 m80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.13 147.21 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 138.96 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.38 15.48 47.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.716 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.18 139.13 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -101.96 135.27 43.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -144.41 126.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.38 145.06 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -140.54 137.22 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.75 178.78 44.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.73 146.4 15.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -150.88 148.32 28.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 102.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.97 124.01 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.616 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.85 134.72 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.69 145.54 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -119.57 112.36 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -96.12 138.49 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.13 100.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.06 118.9 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.04 97.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.991 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.6 -176.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.5 31.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.723 0.296 . . . . 0.0 110.425 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -150.53 -35.91 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.827 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -97.63 150.71 20.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.036 0.446 . . . . 0.0 111.445 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.44 125.25 1.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.77 125.37 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.73 134.16 52.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mt -115.64 149.87 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.4 t -107.76 143.66 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.9 131.54 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 163.69 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.726 0.219 . . . . 0.0 112.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 p -158.95 126.06 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.81 128.0 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.38 122.45 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.7 117.54 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -106.03 139.26 40.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -149.76 150.07 31.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.96 107.4 18.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -44.62 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.422 2.082 . . . . 0.0 112.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 ttt -126.06 31.51 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.62 134.16 12.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.48 44.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.6 t -137.09 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -96.43 18.18 14.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.47 176.28 9.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.6 -39.02 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 51.2 p90 -87.12 123.4 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.84 110.61 33.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -51.85 170.95 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.234 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.37 110.94 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.6 101.49 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.42 151.59 18.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.98 137.87 12.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.49 125.8 8.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -116.68 156.66 15.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.99 144.98 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.13 130.16 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.52 -179.12 19.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -138.59 138.59 38.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.47 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -109.46 120.65 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.7 114.05 25.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.4 mt -109.25 -23.6 11.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.03 -73.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.7 -30.64 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -116.9 33.76 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.41 -165.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mp -118.24 148.32 42.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 203' ' ' PHE . 1.2 m-85 -110.47 144.98 38.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.7 138.56 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.4 mtt -132.21 164.55 26.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -157.88 138.49 12.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.66 146.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 m95 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 88.6 mmm -111.44 116.15 30.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.3 tt -140.73 140.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.64 -167.54 13.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 162' ' ' PHE . 2.6 m-85 -122.02 -179.68 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.58 155.73 26.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -159.68 127.0 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -86.7 134.15 33.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -145.08 157.51 44.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.07 132.96 41.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.68 15.44 29.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.707 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.2 153.37 42.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -111.82 147.58 35.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.0 mt -139.3 141.07 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.41 126.52 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.2 150.49 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.23 137.55 5.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.21 -132.11 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.552 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.44 161.73 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.05 131.51 39.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.97 121.12 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.91 127.94 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.799 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -142.74 132.36 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.43 121.85 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.39 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.116 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 3.1 m-85 -113.85 126.56 55.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.659 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.5 ttm -96.44 125.84 41.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -135.9 97.31 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.03 -175.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.57 34.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.2 -35.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.647 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -101.32 142.19 33.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 0.0 111.439 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.89 130.18 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.076 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.38 148.92 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.326 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -146.93 143.65 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.06 150.38 49.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.24 139.4 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.74 119.39 5.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.45 162.56 24.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.809 0.254 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -83.23 115.68 22.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.36 142.17 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.62 153.08 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.88 142.45 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -109.92 131.29 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -132.64 139.85 47.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -106.62 87.44 2.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.52 -36.62 8.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.532 2.154 . . . . 0.0 112.414 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 51.0 mtt -123.99 32.48 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.75 136.58 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.563 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.25 33.93 1.41 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -115.18 175.61 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.29 18.32 12.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -71.01 152.86 43.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.09 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.39 152.12 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 74.48 2.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.09 138.32 30.63 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.597 2.198 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -148.61 146.58 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.81 157.34 30.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.88 127.8 2.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.94 143.92 45.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 153.65 17.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.8 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.026 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.777 0.323 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.22 145.76 19.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.29 152.98 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.9 mp -111.93 132.27 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -125.35 142.38 13.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -131.14 117.96 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.11 151.87 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -141.01 127.31 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.4 ttt -98.39 119.5 37.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mp -103.72 -1.23 28.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.391 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.99 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 111.267 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.28 -35.29 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.285 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -97.49 33.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 56.72 -163.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.79 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.8 149.06 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -132.69 150.16 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 ttp -131.46 147.39 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -135.93 123.14 21.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.9 143.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.6 mtt -106.77 126.69 52.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 5.3 tp -146.03 139.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -162.1 166.38 36.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.555 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.53 158.24 36.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.2 -173.76 37.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.33 138.87 46.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.16 104.57 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -157.36 154.32 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.36 119.68 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.83 15.44 7.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.724 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.26 138.95 40.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.762 0.315 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.68 133.4 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -139.84 149.24 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 mt -121.86 152.13 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.93 150.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.53 159.31 27.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.374 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.15 -166.77 23.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.727 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -154.38 162.11 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.763 0.316 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 101.12 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.719 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.43 125.85 8.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.97 158.78 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -149.87 135.51 18.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.73 104.69 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.533 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 126.24 40.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.42 100.92 8.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 133.9 49.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.21 97.2 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.43 179.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.298 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.68 36.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.666 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -150.28 -35.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.717 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 49.7 t-105 -108.65 150.07 28.05 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.11 122.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.265 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.19 151.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 111.355 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.29 139.87 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.67 150.41 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 143.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.84 160.1 33.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.26 144.87 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.839 0.266 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -115.21 142.68 46.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mp -122.8 137.13 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.87 137.7 51.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.35 149.83 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.81 130.57 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.35 122.69 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.4 p90 -134.32 97.45 14.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 -27.89 23.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 112.355 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 mtp -122.83 33.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.72 123.04 7.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.97 46.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.438 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -121.02 174.73 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -95.56 18.34 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.67 158.9 23.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.13 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.5 133.15 34.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.23 84.66 6.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 151.04 81.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.601 2.201 . . . . 0.0 112.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -140.58 146.41 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.0 105.79 2.91 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.32 140.95 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -139.44 150.41 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.27 143.14 16.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.73 137.19 41.67 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 146.09 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.17 134.13 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.98 126.18 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.18 116.49 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 124.01 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -110.33 135.45 51.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt -102.63 110.23 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.31 -25.62 10.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -71.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -30.98 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -113.52 31.06 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.51 -165.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.79 132.77 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -101.52 138.24 38.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.06 125.59 46.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.9 157.06 16.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.85 113.67 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.89 168.97 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.2 ttp -100.98 121.0 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.99 135.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -164.41 -172.63 32.12 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -142.18 163.43 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.0 -172.76 36.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -143.29 148.16 35.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -107.77 139.31 42.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -163.42 -177.8 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.59 132.86 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.46 15.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -79.88 148.53 31.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -123.74 137.2 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.5 mt -136.28 149.36 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.67 149.93 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.91 147.81 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.07 149.77 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.67 -149.41 6.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.625 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.38 161.29 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.39 145.54 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 107.24 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.719 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -115.02 150.61 35.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.663 0.268 . . . . 0.0 110.554 179.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.8 m -154.84 148.24 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 111.385 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CZ ' ' CD2' ' A' ' 47' ' ' LEU . 64.3 m-85 -131.58 108.68 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -94.7 116.14 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' CE1' HD11 ' A' ' 61' ' ' LEU . 8.9 m-85 -103.92 106.51 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ttt -68.55 127.66 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 5.0 m-85 -133.45 97.27 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.42 -172.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.95 31.12 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.524 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 -37.41 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.548 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.38 153.75 20.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.039 0.447 . . . . 0.0 111.318 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.32 104.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.16 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -100.6 151.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.348 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -136.15 111.59 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD11 ' CE1' ' A' ' 51' ' ' TYR . 5.2 mp -96.25 117.63 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -100.94 147.4 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.2 120.37 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.75 160.2 33.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.777 0.241 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 t -75.67 140.53 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 149.81 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.4 126.63 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.55 142.14 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 41.5 mt-30 -150.51 164.97 34.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.456 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -148.98 142.73 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -67.07 109.89 4.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 -51.04 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.402 2.068 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.64 33.44 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -56.19 122.13 26.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.99 32.94 1.6 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -116.77 -178.39 3.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -99.17 18.31 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -85.67 128.69 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.0 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 106' ' ' SER . 42.3 p90 -71.33 129.36 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -100.49 97.57 6.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.56 140.91 44.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.429 2.086 . . . . 0.0 112.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -120.43 102.1 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.54 116.49 5.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -165.38 -153.55 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.848 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.26 149.42 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.67 177.73 30.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.759 0.314 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -59.54 170.43 6.1 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.61 140.59 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.68 126.55 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.41 151.66 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.96 92.55 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.99 132.37 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.99 117.74 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.3 ptp -92.62 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.33 -20.18 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.57 -68.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -28.43 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -120.78 32.81 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.046 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.76 -157.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.43 126.0 52.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.57 137.64 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -131.81 126.18 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.22 169.91 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -153.63 106.31 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.68 172.75 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.06 124.83 31.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.3 tt -136.23 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -166.01 173.28 41.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -137.02 158.6 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.2 -164.46 17.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -159.6 134.99 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -86.79 140.86 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.957 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.792 0.329 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 157.49 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.81 144.98 51.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.46 58.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.707 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.3 133.49 35.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -109.08 128.34 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.742 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -138.72 148.51 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.267 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 mt -100.28 158.83 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -162.73 148.2 12.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.89 146.1 17.09 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.323 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.39 165.18 12.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.693 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -148.84 107.62 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.345 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.59 133.57 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.93 125.61 8.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.615 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.8 127.45 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.316 . . . . 0.0 110.637 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 t -146.7 151.93 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.15 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.59 119.24 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 132.17 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.0 100.93 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 125.67 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.19 97.24 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.239 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.02 -174.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.334 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.32 33.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -150.37 -36.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.831 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -99.55 137.77 37.57 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 121.057 0.456 . . . . 0.0 111.418 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.91 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.335 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.03 135.53 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.5 144.44 34.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tt -112.07 121.51 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.79 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.99 154.6 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.28 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.63 164.41 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.33 163.33 16.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.821 0.259 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -87.74 114.08 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -99.6 129.02 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.44 130.35 34.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -118.0 135.58 54.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -126.24 150.21 48.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.425 ' CD1' ' CA ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -99.83 97.25 5.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 -46.09 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.478 2.119 . . . . 0.0 112.267 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.79 29.86 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.425 ' CA ' ' CD1' ' A' ' 99' ' ' TYR . . . -75.21 94.05 0.9 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.53 44.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.573 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.75 -179.75 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -110.66 18.28 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.38 165.54 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.32 -34.68 31.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -70.96 112.14 6.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -112.86 82.77 5.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.13 161.84 44.49 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.545 2.163 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -156.96 132.68 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.82 110.65 4.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -92.24 138.58 14.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 30.4 mt -141.68 136.93 31.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.62 129.78 9.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.396 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 24.6 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.84 165.17 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -142.97 154.43 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.1 119.57 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.14 134.42 11.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.18 102.6 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.81 142.65 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.46 150.83 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 mtt -77.2 128.87 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.98 -26.94 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 69.38 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.07 -45.67 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.15 31.16 3.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.75 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 205' ' ' TYR . . . 64.16 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.74 153.77 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 5.7 t80 -128.11 143.5 51.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.75 157.13 44.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.245 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.27 172.04 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.695 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.61 138.03 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.6 m -144.66 131.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 110.794 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 32.5 mmm -114.57 115.59 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.8 145.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.44 -162.8 28.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.64 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.416 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 8.7 p90 -148.08 175.18 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 0.0 110.731 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.02 -165.37 15.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.778 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 160' ' ' ALA . 0.7 OUTLIER -141.68 131.05 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.794 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 131.63 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -137.63 140.93 41.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 128.61 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.62 15.54 26.78 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.766 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 155.76 39.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 146.68 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -144.11 145.34 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 207' ' ' PHE . 0.1 OUTLIER -113.6 123.19 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.66 167.94 19.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.03 146.89 9.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.99 -158.45 8.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.589 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -134.66 160.98 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.47 133.97 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.775 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.62 116.01 5.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.688 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.63 127.47 53.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.578 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -133.02 137.49 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.322 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -122.03 112.43 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.425 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.75 129.97 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 111.187 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -110.46 100.87 9.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.35 122.33 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.04 97.24 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.91 -175.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.228 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.43 33.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.78 0.324 . . . . 0.0 110.474 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -150.42 -37.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.725 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -97.87 150.36 21.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.046 0.45 . . . . 0.0 111.517 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.03 109.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 p -100.69 151.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -138.57 148.51 44.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -129.38 122.47 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.9 152.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.281 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -158.39 124.63 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.57 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.715 0.215 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.46 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.37 146.26 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.32 122.88 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.45 148.42 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -140.73 158.08 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.434 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 43.2 p90 -145.29 127.11 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HA ' ' CG ' ' A' ' 111' ' ' TYR . 7.4 p90 -132.19 73.43 77.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 111' ' ' TYR . 53.1 Cg_exo -55.04 -48.17 22.54 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.561 2.174 . . . . 0.0 112.418 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -27.56 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.92 94.65 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.19 57.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.572 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.63 -172.61 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -92.94 18.21 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -73.37 176.34 6.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 154' ' ' TYR . . . -90.98 -64.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -92.47 141.82 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -131.62 90.53 36.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 58.8 Cg_endo -71.74 127.66 13.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.569 2.179 . . . . 0.0 112.261 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -177.45 -164.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.95 -168.21 25.73 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -155.44 -118.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.752 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -134.03 172.99 12.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 110.976 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -131.87 -160.95 9.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.09 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.23 136.94 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 119.54 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.8 tp -123.23 153.9 39.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -170.21 -152.04 7.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 82.8 m-85 -134.68 129.44 34.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.79 125.01 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.416 ' CE2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -99.48 106.4 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.7 mmt -102.85 103.79 13.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt -111.74 -17.07 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.163 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 67.11 -75.86 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -29.48 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -100.52 28.19 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 66.27 -170.46 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.42 139.22 31.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.404 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.15 130.55 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -104.62 126.73 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.056 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.9 ttm -133.57 132.52 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.01 150.33 35.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.37 138.22 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.1 p-90 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 52.7 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.8 0.334 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 5.7 mmm -111.25 133.1 53.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.96 138.81 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.68 178.58 44.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.614 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -139.82 164.73 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -166.68 -154.4 8.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.627 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -151.6 159.72 43.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -94.44 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . 0.405 ' CD1' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.62 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 138.95 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.89 15.52 39.14 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.712 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.19 144.0 34.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 137.35 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.83 141.23 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 49' ' ' PHE . 6.9 pt -139.85 129.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 161.15 43.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.39 153.71 25.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.723 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -134.98 161.95 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.755 0.312 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.59 119.41 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.9 124.34 7.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.664 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 127.49 41.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.2 p -130.14 139.14 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -110.13 104.58 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.468 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -96.62 138.11 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -122.73 108.14 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.67 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 128.48 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 10.7 t80 -138.0 97.38 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.153 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.21 -177.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.187 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -92.63 31.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -150.51 -36.6 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.766 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -102.38 162.46 12.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.07 143.78 5.48 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.146 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 t -100.73 151.11 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.69 124.35 12.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.77 150.43 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.94 135.12 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.39 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.53 163.72 28.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 N--CA 1.465 -0.177 0 CA-C-O 120.853 0.272 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.3 125.65 29.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.07 145.35 38.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mp -146.61 135.72 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.95 133.2 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 134.06 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.993 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -148.73 134.56 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -138.68 88.82 13.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.74 -50.54 12.23 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.61 2.206 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 33.33 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.03 110.96 4.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.8 57.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.26 179.59 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.63 -8.43 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m -57.56 147.6 26.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -81.96 124.22 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.79 111.89 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.764 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.79 150.57 78.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.381 2.054 . . . . 0.0 112.213 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -129.24 131.89 47.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.16 136.05 13.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.91 127.77 5.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.579 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 138.25 52.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.77 132.35 11.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.86 159.53 19.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -166.94 151.68 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.023 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mp -113.82 147.65 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.49 124.1 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.632 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -104.87 102.99 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.12 139.97 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -128.38 124.16 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.6 mtt -93.65 110.17 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mp -110.52 -24.3 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.77 -74.72 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.42 -27.35 68.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 32.79 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.13 -157.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.6 145.91 43.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.01 120.47 40.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.37 121.6 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.2 ttt -110.98 161.63 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.87 145.97 30.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.11 128.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.4 ttm -137.99 136.45 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 38.2 pt -143.73 140.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.74 -162.67 27.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -148.45 158.18 43.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.26 -177.5 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.401 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -131.47 147.59 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.59 119.85 34.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -136.74 -177.76 4.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.8 140.69 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.47 15.36 62.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.679 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.99 143.05 37.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.728 0.299 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.33 117.1 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.9 mm -128.18 139.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 HG12 ' CE1' ' A' ' 49' ' ' PHE . 21.7 mt -124.4 127.93 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -138.33 140.89 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.47 154.31 25.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.65 -162.63 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -144.25 161.88 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.57 106.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.4 114.25 4.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.689 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.75 139.83 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.664 0.269 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 m -141.54 140.4 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.436 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' CE1' HG12 ' A' ' 9' ' ' ILE . 32.8 m-85 -117.49 105.71 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.398 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.07 31.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 111.317 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.54 101.67 7.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.423 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 126.38 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.407 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -137.99 97.27 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.995 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.13 -172.98 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.202 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -94.91 29.09 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.831 0.348 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -150.47 -36.5 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.699 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -91.48 146.46 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.032 0.444 . . . . 0.0 111.42 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.43 117.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.16 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.78 132.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.54 143.04 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.49 137.52 54.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.6 141.8 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.46 139.13 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.01 155.65 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 N--CA 1.464 -0.241 0 CA-C-O 120.744 0.227 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.2 m -112.16 130.53 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.62 139.85 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.91 126.5 27.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.88 132.32 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 131.44 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.979 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -126.8 150.2 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 43.1 m-85 -119.48 79.95 21.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.81 -50.79 2.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.637 2.225 . . . . 0.0 112.144 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 30.64 6.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.91 138.86 14.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.44 49.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 -176.2 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.72 18.27 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -89.9 155.34 19.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.74 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.31 121.14 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.07 89.24 6.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.42 163.18 38.99 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 37.4 p90 -171.94 159.39 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.23 165.41 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.392 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.68 155.97 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.623 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.95 146.95 47.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.09 131.2 10.54 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.808 0.337 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.22 141.63 15.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 144.18 43.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.43 134.48 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -174.17 -145.89 5.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -165.71 163.97 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -124.64 146.11 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.417 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 7.6 t80 -100.69 125.95 47.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.99 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.417 ' HG ' ' CE2' ' A' ' 154' ' ' TYR . 8.4 mt -109.4 -25.25 10.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 69.19 -67.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.27 -30.53 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -110.5 29.72 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.92 -166.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.161 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.26 130.69 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -99.05 116.21 30.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.1 147.1 23.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.73 133.27 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -136.8 137.55 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.73 156.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 12.1 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.32 126.21 55.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 pt -149.9 145.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.37 -169.44 38.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -128.78 176.22 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.12 -177.81 35.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.6 154.58 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -86.79 134.27 33.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . 0.411 ' CG ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -139.76 154.98 47.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.85 126.26 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.85 15.5 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.733 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.57 135.02 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.47 136.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.4 mt -146.38 139.87 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.8 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.24 133.99 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.67 155.04 23.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.332 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.29 140.62 15.94 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.614 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.26 121.0 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 124.41 27.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.06 133.23 10.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.78 141.47 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.493 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 m -138.34 132.38 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.24 109.89 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.269 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.61 130.02 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -114.28 100.86 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtt -61.06 131.01 49.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.0 97.3 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.005 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.8 -174.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.162 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -95.07 31.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.828 0.346 . . . . 0.0 110.564 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -150.43 -34.75 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.917 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -100.35 148.33 24.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.077 0.465 . . . . 0.0 111.708 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.06 112.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.07 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.6 142.27 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.332 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -147.05 138.72 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 pp -106.4 134.83 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.39 155.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.259 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.86 119.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.09 162.73 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.813 0.256 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 t -133.2 135.81 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.71 151.88 19.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.73 114.22 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.787 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mt -80.33 139.28 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -131.44 140.48 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -139.74 149.83 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -104.73 89.33 2.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.99 -45.03 2.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.554 2.169 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ttt -126.07 32.37 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.1 113.35 4.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -127.89 -170.85 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.1 18.28 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -84.2 154.11 23.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.72 -52.48 25.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -84.71 140.94 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -132.51 96.65 18.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 137.14 33.57 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.47 2.113 . . . . 0.0 112.222 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -123.78 158.09 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.62 136.26 6.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.36 -157.25 7.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.55 139.02 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.58 168.67 15.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.069 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.74 31.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.02 119.51 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 mp -122.38 146.75 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.61 -175.98 35.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.19 161.16 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -119.76 136.69 54.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -141.2 100.94 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 130.23 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 mp -111.73 -12.63 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.33 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 64.4 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.99 -30.15 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -109.09 33.75 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.411 ' HA ' ' CD1' ' A' ' 205' ' ' TYR . . . 63.91 -170.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.85 128.27 55.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 203' ' ' PHE . 8.9 m-85 -114.57 126.79 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -133.99 141.49 47.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.4 ptm -104.23 157.02 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -142.81 134.64 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.1 p -157.93 158.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.11 114.86 29.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.99 142.64 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.44 -168.74 18.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.422 ' HB3' ' CD2' ' A' ' 162' ' ' PHE . 28.9 p90 -161.88 166.94 25.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 175.99 -165.85 36.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 160' ' ' ALA . 0.6 OUTLIER -146.82 153.21 39.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.793 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -86.87 128.23 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 161.34 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.426 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -62.17 124.15 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.3 15.37 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.39 131.99 52.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' CE2' ' A' ' 51' ' ' TYR . 96.1 m-85 -96.87 125.21 41.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.43 146.3 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 pt -116.75 138.4 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -140.79 136.1 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.53 149.63 19.88 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.85 -165.5 26.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -131.65 159.81 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.47 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -99.41 99.95 2.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.4 tt -106.32 129.27 54.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -138.45 132.96 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.53 110.37 20.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -96.99 132.85 42.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CE2' ' CE2' ' A' ' 7' ' ' PHE . 7.4 m-85 -115.53 102.57 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.59 129.78 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 21.1 t80 -138.1 97.32 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.59 -179.52 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.34 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.72 33.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 -36.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.617 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -100.02 145.09 28.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.45 110.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.6 m -101.1 145.93 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.79 133.33 46.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mp -100.79 150.5 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.04 145.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.23 161.02 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.92 152.57 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.804 0.252 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -118.13 114.27 22.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -105.67 153.83 21.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.24 133.6 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.97 148.0 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -146.28 134.32 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -118.5 128.95 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.95 110.89 4.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.5 -51.01 6.94 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.483 2.122 . . . . 0.0 112.179 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 mtm -114.2 31.15 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.18 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.12 45.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.558 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 p -137.85 171.36 14.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -95.24 18.29 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 t -76.52 158.8 30.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.94 25.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 128.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -113.4 74.57 2.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.98 163.17 35.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.6 2.2 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.26 143.77 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.86 165.8 28.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.566 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.16 -151.17 19.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.549 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.65 167.64 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -155.76 -151.44 5.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -69.16 157.1 53.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.548 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -147.1 140.19 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.91 125.13 30.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.7 152.46 20.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.53 102.87 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.33 133.55 34.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -142.66 122.28 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 43.5 ttp -78.56 128.87 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -36.04 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.99 -4.57 2.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.691 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.98 -47.42 9.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -138.83 -32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -173.58 -155.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.9 mp -116.44 132.47 56.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 0.2 OUTLIER -95.57 136.76 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -135.13 141.89 46.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.67 162.3 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.59 112.23 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.2 p -129.23 142.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.2 ttt -124.02 142.69 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.92 120.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.71 -172.73 26.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 50.0 p90 -137.62 162.56 33.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.07 154.57 25.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -127.2 155.97 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -86.76 139.33 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.739 0.304 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.23 159.84 38.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.12 129.82 41.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.17 15.41 23.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.733 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.55 169.56 10.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 0.0 110.79 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.41 123.45 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 pt -135.47 120.83 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.002 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 pt -95.11 151.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -146.18 158.8 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.85 168.38 13.02 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.0 137.28 9.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.01 119.0 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.5 122.04 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.7 118.27 6.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.704 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 pp -113.05 131.15 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.719 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.7 m -137.05 132.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.212 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -121.23 104.64 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -97.69 146.01 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.368 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.64 115.61 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 mtp -67.86 124.56 23.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -136.27 97.21 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.995 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.94 -173.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.23 30.77 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.78 0.324 . . . . 0.0 110.512 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -35.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -96.41 138.77 33.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.104 0.478 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 108.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.063 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.71 141.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.0 151.51 37.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.63 123.52 43.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.88 141.51 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.255 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.4 126.75 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.03 163.7 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.806 0.253 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -72.22 134.96 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 tt -112.33 136.56 51.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.22 168.53 19.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.28 134.43 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.81 152.02 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -133.23 127.03 32.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.487 ' CG ' ' CE2' ' A' ' 111' ' ' TYR . 3.8 p90 -135.58 79.52 47.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 -32.06 12.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.525 2.15 . . . . 0.0 112.369 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 tpp -104.16 31.87 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.83 98.15 2.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.3 t -103.86 -178.39 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.63 18.34 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.63 159.75 14.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.14 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -73.88 112.25 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.76 81.68 5.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.24 134.62 25.27 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.542 2.161 . . . . 0.0 112.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.487 ' CE2' ' CG ' ' A' ' 99' ' ' TYR . 9.5 m-85 -131.1 130.79 43.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.66 139.23 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.54 126.76 6.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.01 129.39 21.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.1 149.55 20.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.862 0.363 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -102.0 140.24 14.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -158.8 152.4 23.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 117.21 33.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.23 116.78 5.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.56 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.36 122.76 44.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.775 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -109.52 142.07 41.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.64 113.36 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 13.9 ttt -85.65 118.47 25.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 159' ' ' HIS . 4.6 mt -111.73 -2.89 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 65.34 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.774 0.321 . . . . 0.0 111.473 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -81.67 -29.68 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.455 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 156' ' ' LEU . 6.1 t-80 -96.63 33.82 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.222 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.418 ' HB1' ' CZ ' ' A' ' 205' ' ' TYR . . . 55.51 -158.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.038 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.67 145.49 43.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.2 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.83 123.31 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 135.37 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.65 118.07 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.24 144.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 ttt -101.18 115.8 31.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.3 mt -134.86 139.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -150.32 -166.97 13.96 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.583 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -123.64 -179.18 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.31 143.98 11.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . 0.418 ' CZ ' ' HB1' ' A' ' 160' ' ' ALA . 1.9 m-85 -148.06 138.75 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 140.38 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.3 146.95 51.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.98 130.33 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.26 15.45 35.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.646 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.15 152.14 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.812 0.339 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.49 131.51 56.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.1 mt -134.08 147.82 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -120.62 150.76 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.95 145.4 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.61 151.18 23.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.41 -142.18 3.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.53 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -133.13 148.5 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.21 138.84 42.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.2 115.81 4.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.573 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.5 151.81 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -145.91 147.65 31.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.24 106.66 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 135.52 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.997 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -114.69 103.65 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 122.44 19.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 97.33 3.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.28 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.73 -175.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.51 35.85 1.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.868 0.366 . . . . 0.0 110.44 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -150.17 -37.2 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.517 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -97.27 141.76 29.98 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.878 0.37 . . . . 0.0 111.324 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.78 100.53 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.306 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.71 139.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.156 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.02 141.19 52.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -104.3 147.37 27.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 t -127.81 141.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.91 170.17 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.19 163.67 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.833 0.264 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 p -90.76 137.02 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 155.48 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -135.0 124.74 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.14 129.05 34.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -122.93 153.41 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.6 138.45 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 99' ' ' TYR . 17.4 p90 -136.74 91.17 15.8 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.95 -28.11 13.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.51 2.14 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.69 -27.57 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.28 43.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.12 -170.78 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -93.6 18.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -73.82 151.74 40.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 -38.58 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -91.38 126.81 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -121.91 81.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 57.5 Cg_endo -71.1 159.44 52.26 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.369 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -172.83 173.39 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 162.96 162.53 13.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.95 -120.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.52 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -141.3 141.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 173.38 15.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.114 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.21 148.77 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.567 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 142.65 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.8 146.37 43.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -152.93 -179.49 28.51 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 18.3 m-85 -132.97 123.59 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -121.74 130.74 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 162' ' ' PHE . 17.5 p90 -150.75 148.35 28.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 38.2 mtt -74.54 133.11 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.8 mt -101.14 -10.58 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.328 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.5 m120 69.44 -67.07 0.23 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.31 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -39.74 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 32.03 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.79 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 167.07 22.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.061 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 163' ' ' ASN . 13.1 t80 -130.45 145.46 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . 0.447 ' N ' ' CD1' ' A' ' 162' ' ' PHE . 8.1 t30 -142.05 138.99 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 ttp -130.19 156.96 43.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.61 139.45 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.83 144.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 mtt -148.84 115.89 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.79 136.29 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -174.2 -164.08 28.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.7 164.99 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.64 -172.21 18.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.622 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -155.14 127.12 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -91.15 129.52 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 75.2 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -158.48 179.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 133.17 47.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.97 13.2 11.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.712 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.07 161.32 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.78 0.324 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -148.47 145.41 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -123.92 149.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.21 106.67 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.64 168.0 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.8 -130.84 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -142.15 149.7 40.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 117.1 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.759 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.62 138.97 23.9 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.597 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.96 138.81 44.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.707 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -143.53 134.5 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.048 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.07 125.96 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -106.33 139.21 41.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.43 100.88 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.516 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.59 120.08 16.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 t80 -137.96 97.1 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.114 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.65 -176.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.264 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.66 33.33 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.891 0.377 . . . . 0.0 110.401 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 -36.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 3.5 m0 -96.31 142.78 28.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.503 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.4 134.9 3.57 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.063 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -107.07 142.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.374 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -139.57 111.55 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.73 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.74 150.38 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.41 131.4 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.41 127.87 16.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.32 163.53 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 N--CA 1.466 -0.132 0 CA-C-O 120.835 0.265 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.48 126.16 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.46 134.41 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.01 129.82 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.57 138.08 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.71 118.41 36.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.56 148.8 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -122.25 77.78 43.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.13 -51.0 11.21 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.0 mmt -115.11 32.47 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.48 98.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.5 52.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -118.21 -177.65 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -96.98 18.26 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -82.43 144.1 30.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -58.1 10.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -76.69 144.67 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.09 88.42 26.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.69 173.21 8.29 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.777 2.318 . . . . 0.0 112.153 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 38.9 p90 -160.38 130.03 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.23 129.59 20.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.48 124.6 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 129.69 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.84 145.66 16.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.097 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.45 117.86 4.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -134.3 144.79 48.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 132.31 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -126.87 166.49 19.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -136.77 114.32 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.08 121.81 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.781 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.85 111.02 12.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 9.2 mtm -102.76 135.0 45.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mp -103.27 -37.16 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 76.2 -1.17 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -85.98 -45.09 11.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.865 0.364 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.15 -32.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.392 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -175.57 -166.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.3 mt -119.98 132.54 55.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.17 138.96 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.32 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.6 mtt -105.29 151.04 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.56 133.0 17.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.66 161.11 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.852 0.358 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 22.4 mtt -111.84 124.09 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.64 139.92 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.36 159.75 26.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -121.87 179.73 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -177.45 -156.73 16.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.643 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.42 135.96 29.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.35 140.85 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -108.82 162.08 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 149.07 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.76 139.07 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.64 15.39 53.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.699 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.48 146.53 50.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -108.47 121.52 45.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.99 137.65 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 pt -102.23 153.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.02 137.51 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.02 156.84 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.0 -161.55 16.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -131.48 138.45 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.14 128.65 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 m -92.25 138.37 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -177.37 64.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -148.28 136.42 11.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 102.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.432 2.088 . . . . 0.0 112.243 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 148.94 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -103.09 -53.83 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -92.98 153.3 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 m -132.26 112.23 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -70.23 95.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.95 83.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mp -135.63 -66.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.62 135.22 41.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -158.43 76.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -139.48 31.66 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.61 105.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.28 85.07 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.39 92.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.48 110.01 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -85.22 -56.94 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.57 -143.37 15.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.87 117.54 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -90.36 -65.54 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.81 -70.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -148.77 156.15 41.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -121.52 -42.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.58 119.22 28.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.11 -56.97 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -157.74 31.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -88.82 164.15 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 134.2 46.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 112.08 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.2 111.6 4.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.653 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.2 127.44 55.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.623 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -144.92 151.44 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.141 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 61' ' ' LEU . 36.1 p90 -132.96 117.39 17.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.52 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -94.82 140.02 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.44 104.2 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.542 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 13.4 ttt -64.72 123.37 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -137.91 97.29 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.154 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.04 -175.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 32.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -34.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.665 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.57 149.19 22.24 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.987 0.422 . . . . 0.0 111.422 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.34 95.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.69 122.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.362 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -132.57 147.97 52.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -108.19 135.14 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 m -105.26 139.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.67 146.5 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.97 163.61 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 t -140.98 92.6 8.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.87 168.68 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -119.81 124.52 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -161.43 100.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -129.78 155.37 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -115.02 167.72 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.9 p -72.09 -44.9 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 59.45 -177.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 m -155.66 -47.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -178.69 131.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.1 80.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.94 -178.08 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.87 74.56 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.86 83.49 0.71 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.617 2.211 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.49 -72.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.96 143.0 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.6 109.35 17.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.4 -99.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.53 148.69 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.96 -19.52 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.46 134.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -126.33 157.39 38.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.91 44.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -144.01 37.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 142.05 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.76 131.36 22.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.29 153.94 36.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.5 2.133 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.14 145.63 49.76 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.46 115.47 22.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.67 140.82 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.99 118.38 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.37 119.2 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.71 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.39 141.49 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -128.14 150.13 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.78 80.97 14.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.93 -51.06 5.16 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.651 2.234 . . . . 0.0 112.259 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.9 30.96 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.43 131.21 10.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.12 37.84 0.91 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.9 t -122.86 175.18 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -95.43 18.37 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -77.99 147.52 34.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.71 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -124.09 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -143.75 97.77 5.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HG3' ' CE1' ' A' ' 152' ' ' PHE . 23.9 Cg_exo -63.87 171.12 7.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.564 2.176 . . . . 0.0 112.229 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 10.2 p90 -163.29 155.2 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.0 129.36 9.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.3 155.79 20.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.15 129.59 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 110.925 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.17 164.48 13.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m -114.66 138.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -117.34 109.01 16.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.02 171.48 7.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.25 178.48 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.62 38.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.78 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 60.21 161.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.4 141.96 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.82 -15.73 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.245 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.53 -50.46 67.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -31.55 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.83 -55.28 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.9 p -78.11 100.73 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -153.59 95.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -81.7 87.08 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -65.68 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -172.6 80.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 60.28 87.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -83.09 88.56 1.5 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -77.11 90.31 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.18 95.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 115.65 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -101.65 -54.03 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 131.46 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.1 mp -89.04 -55.0 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -129.99 140.82 50.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -119.77 72.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.76 35.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.44 144.22 51.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 102.83 -105.26 2.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.64 152.62 45.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -173.22 76.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -93.37 169.9 30.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.44 142.41 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.35 152.49 27.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -142.77 161.11 27.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.53 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CE1' ' HG3' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -124.18 113.89 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -95.41 129.3 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -119.11 118.98 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 8.1 mtt -86.63 116.23 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -111.42 -19.37 12.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.15 -69.92 0.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.35 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.43 -27.66 31.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -99.28 26.76 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.182 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 64.43 -158.83 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.69 118.3 32.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 110.792 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.62 118.05 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -119.32 154.83 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.79 158.86 43.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.17 125.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.3 158.25 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -114.84 101.49 9.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -105.28 -31.71 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -170.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.48 24.83 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -115.51 -27.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.05 114.55 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 17.4 p -160.0 154.78 24.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -44.4 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.17 158.68 19.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.7 m -147.89 -178.22 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.35 154.07 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -77.04 127.81 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -148.59 149.59 21.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.97 110.41 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.611 2.208 . . . . 0.0 112.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.99 90.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.45 98.88 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.27 -54.45 2.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 103.91 -67.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.55 142.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -98.64 30.93 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.08 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 25.5 p -140.7 34.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.44 125.99 20.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 5.1 m -62.99 83.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -40.83 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 30.9 m -133.22 31.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -97.18 39.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.2 p -173.31 -41.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -77.94 135.38 63.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.14 148.48 34.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -64.26 -64.66 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.0 m -133.1 140.72 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.62 122.71 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.42 120.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.38 127.47 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.38 -163.1 15.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -123.92 173.9 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.17 173.63 30.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.97 139.6 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.61 128.0 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -110.64 144.24 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.65 161.92 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.765 0.316 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 16.1 p80 -83.78 93.07 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -133.9 162.05 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.73 134.42 47.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.56 15.62 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.744 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.98 143.06 39.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.48 122.62 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.1 mm -139.44 142.56 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.53 143.58 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.24 135.66 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.86 150.61 18.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.42 156.68 22.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.542 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.33 141.03 26.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 136.87 32.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -92.63 129.01 38.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.9 m -150.39 31.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.38 130.8 50.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.94 134.14 19.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.409 2.073 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.83 -34.35 18.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -79.49 -38.73 33.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -75.46 136.34 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.4 p -132.39 -53.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.61 116.34 20.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 60.47 159.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.9 pt -67.31 175.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -80.2 138.53 36.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.5 -70.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.86 130.14 40.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.33 133.67 3.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.67 108.51 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -102.84 93.45 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -112.49 119.42 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -46.29 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.55 -51.7 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -141.04 -47.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -112.36 169.03 9.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.25 31.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 t -79.4 119.74 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 m -104.09 -30.13 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.73 154.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -54.28 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 60.33 84.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 t -132.48 126.34 32.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -146.24 154.41 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.68 146.71 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.21 105.13 2.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.14 127.72 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.7 p -136.49 148.21 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 111.264 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.77 109.81 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.451 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -94.86 127.03 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 111.396 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -118.24 100.77 7.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.329 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mtt -65.0 135.14 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.437 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.4 m-85 -136.95 97.18 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 68.85 -177.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.006 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.73 27.86 2.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -35.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.778 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.406 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -94.84 158.91 15.29 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.041 0.448 . . . . 0.0 111.51 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 158.08 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 m -148.7 138.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.944 0.402 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.77 150.34 51.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -116.99 150.39 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.17 142.05 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.75 128.45 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.23 141.26 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.4 p -129.77 101.16 18.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.44 158.87 55.03 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.451 2.1 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -104.04 112.37 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.25 159.05 43.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.46 -47.84 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.46 69.27 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.87 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 -45.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.35 -47.63 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 117.75 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.34 -104.33 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -97.01 87.93 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.11 168.69 12.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 168.43 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.536 2.157 . . . . 0.0 112.384 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 140.23 15.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.24 168.02 21.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.355 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 129.64 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.48 151.96 5.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -65.46 -47.13 77.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.8 tt 61.13 113.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.63 151.23 38.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.32 153.8 42.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -132.12 -61.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -118.83 123.81 45.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.03 159.95 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 137.21 75.14 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.794 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.2 148.63 31.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.518 2.145 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.38 127.68 10.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.536 2.158 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.7 m -72.92 127.75 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.33 152.04 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.8 mp -146.3 157.76 43.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.0 161.44 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -141.06 123.04 15.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -135.3 150.31 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -102.53 104.72 39.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.05 -51.05 2.42 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 31.08 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.65 152.72 25.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.92 28.07 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.7 t -115.38 -173.78 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -95.66 18.3 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 p -81.52 158.79 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.77 -59.38 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -75.84 143.49 41.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -128.52 107.29 19.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.84 174.05 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.413 2.075 . . . . 0.0 112.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 101.05 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.28 97.7 2.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.32 141.46 15.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.64 129.48 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.87 135.62 12.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.39 128.19 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.331 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -150.16 121.31 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -141.24 174.3 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 m -120.12 117.48 28.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.45 174.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -114.29 102.02 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -74.81 118.48 17.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -163.55 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -31.36 12.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.76 -30.05 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.49 -31.31 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.9 -33.55 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.2 m -105.18 99.76 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.58 140.65 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -115.39 80.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm 60.32 163.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -99.61 40.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -114.32 156.87 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.69 -156.48 11.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.22 109.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.25 114.82 21.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -63.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.4 mtt -146.64 176.37 9.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.07 88.1 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -108.63 115.46 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -143.07 123.04 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -93.91 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.9 t -170.9 173.52 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -97.16 160.33 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.61 18.98 56.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.761 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.0 mt 55.77 -172.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 111.05 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -147.87 -57.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.14 132.01 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.75 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.74 122.25 47.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.72 153.32 16.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -123.07 99.44 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.49 143.42 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -154.04 120.43 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.0 ttt -64.63 130.64 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.408 HD23 ' CG ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -111.75 -19.97 12.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.285 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.2 -69.52 0.14 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.727 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.408 ' CG ' HD23 ' A' ' 156' ' ' LEU . 18.7 m170 -105.41 30.19 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.67 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 151.86 41.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -144.43 126.75 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.588 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -143.12 171.7 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.9 ttt -131.51 160.13 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.678 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -128.61 137.04 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.77 135.97 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 98.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -64.97 -38.84 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.3 ttp -98.12 139.92 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.3 143.36 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 9.3 pt -98.39 30.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -129.41 -51.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 30.0 m 62.58 147.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.21 -40.77 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -105.01 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.3 p -126.79 -45.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.8 pt -73.21 154.41 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.7 127.42 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -148.34 74.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.35 90.71 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.577 2.185 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.1 m -111.36 -33.29 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.15 86.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.9 mp -85.29 -177.36 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -61.95 -152.67 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 28.8 t -127.5 -53.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 28.3 m120 60.87 163.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.23 176.28 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 5.0 p 49.67 87.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.72 153.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.05 178.68 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -122.78 -51.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 -66.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -156.54 -46.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.1 p -168.13 136.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.61 164.33 15.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.87 148.07 75.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.591 2.194 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -118.81 94.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.58 118.51 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -129.7 135.43 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.9 ttt -107.66 114.8 29.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.86 133.42 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.67 176.62 32.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.611 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -127.87 175.8 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -135.4 171.35 22.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -159.7 159.75 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 123.76 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.68 152.25 22.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.39 149.44 36.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.867 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.817 0.341 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -130.77 138.75 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -162.04 163.28 28.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.03 121.38 29.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.51 15.4 23.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.684 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.96 145.49 48.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -100.02 121.61 41.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.6 mm -126.03 130.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.62 142.91 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -154.71 156.69 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.36 145.39 9.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.17 -137.19 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -147.68 161.9 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.58 130.68 56.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.14 117.98 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.7 t -100.82 159.04 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.81 75.47 30.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.82 -45.72 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.554 2.169 . . . . 0.0 112.259 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.74 170.65 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.46 -37.12 84.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -150.08 -57.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 60.83 49.46 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 p -166.06 156.4 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.44 128.73 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.2 mt -97.64 38.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.91 163.0 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.31 -169.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.78 173.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.17 -50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.69 38.24 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 167.39 20.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 145.0 56.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 60.9 112.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.48 155.11 13.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.4 t 44.91 36.75 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.807 0.337 . . . . 0.0 111.404 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 141.79 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.01 -63.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 m 60.4 77.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.73 -66.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -101.75 31.69 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -100.2 -31.56 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.45 130.36 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.7 t -112.82 161.33 17.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -95.54 120.42 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.94 124.68 23.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.19 112.9 3.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.5 137.75 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.322 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.9 m -136.33 136.96 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.078 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -127.7 108.07 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.692 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -104.13 128.34 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -105.87 100.87 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 131.04 49.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.92 97.23 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.183 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.87 -172.62 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.286 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.0 31.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.497 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -150.4 -37.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -94.8 145.99 24.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.978 0.418 . . . . 0.0 111.469 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.87 128.85 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.355 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.2 m -120.88 122.87 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -118.64 139.66 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mp -107.85 147.3 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.62 124.94 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.39 149.85 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.55 161.51 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.3 p -79.95 131.37 63.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.67 178.06 7.24 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.461 2.107 . . . . 0.0 112.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.66 31.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -67.92 155.87 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -114.94 -65.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -142.79 155.35 44.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -173.19 112.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -147.96 122.8 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.84 -30.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -59.08 114.36 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.35 -96.71 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.07 124.46 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.55 153.94 8.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.429 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 128.93 16.58 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.593 2.196 . . . . 0.0 112.256 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -158.2 39.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -112.86 140.13 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -112.45 140.74 46.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.48 159.15 18.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -119.4 172.29 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 -171.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.51 -175.15 4.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.55 95.49 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.7 pt -115.48 152.72 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.9 tptt 60.17 103.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -132.41 166.81 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.39 95.01 49.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.32 130.05 27.7 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.152 . . . . 0.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.64 147.44 51.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.465 2.11 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.72 114.18 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 tp -106.67 128.02 53.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.4 tt -114.82 128.31 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 tp -80.32 149.06 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -134.96 131.74 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -130.58 150.18 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 111' ' ' TYR . 4.1 m-85 -107.38 76.04 0.49 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.27 -43.17 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.2 ptp -126.33 33.31 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.7 130.42 10.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.13 57.76 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.5 -178.61 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -96.52 18.43 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -60.9 143.36 55.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.93 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -122.02 127.98 50.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 88.12 2.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 134.89 30.47 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 99' ' ' TYR . 29.0 m-85 -125.14 139.56 53.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.62 146.45 48.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.516 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.52 119.84 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -131.17 129.59 41.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.84 117.57 7.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.1 p -142.75 135.32 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -147.5 142.92 27.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -113.79 171.85 7.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.2 m -124.78 -68.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 42.8 p -108.9 112.65 25.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.07 79.62 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.54 20.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.21 29.12 4.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -33.67 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -37.94 69.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.6 82.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.72 177.78 4.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.9 117.8 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -142.52 145.55 33.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.83 33.08 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.02 41.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -104.6 146.76 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.19 -97.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.4 ' CZ ' ' HG ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER 61.23 171.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.8 m -132.02 -51.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 128.18 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.9 mmt -67.58 160.62 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt 60.28 106.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.4 ' HG ' ' CZ ' ' A' ' 135' ' ' PHE . 0.2 OUTLIER -146.22 -47.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -85.37 56.7 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -173.11 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.0 t -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -127.57 142.84 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.88 78.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -159.13 177.84 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.19 -58.23 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -161.34 152.09 22.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.2 158.1 21.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.93 129.26 55.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.15 159.35 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.67 100.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.92 134.13 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -147.17 122.61 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 5.6 ttt -71.11 124.16 23.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.75 -4.09 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 64.81 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.72 -42.53 88.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.7 28.46 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 205' ' ' TYR . . . 61.63 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.7 mp -148.9 167.47 25.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.941 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.35 133.93 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.11 142.57 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 62.3 mtp -142.81 142.69 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -128.73 134.13 48.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.77 160.42 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.02 125.34 31.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -135.37 147.52 49.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.95 123.19 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.81 -176.99 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.9 mp 63.23 144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.99 102.85 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 11.4 m -83.71 -67.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.17 67.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 57.49 72.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.16 79.2 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 18.8 tt -81.45 148.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -88.44 137.94 31.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -122.24 -86.35 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.07 63.04 3.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.61 2.206 . . . . 0.0 112.252 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 4.7 m -167.71 -50.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -131.77 128.85 39.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.4 172.84 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 98.36 171.91 32.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.61 100.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -70.76 93.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -91.39 -50.79 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 44.7 m 60.44 103.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.74 -45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.3 138.04 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.18 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.18 -60.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.9 -59.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.04 -67.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 7.0 m -141.99 132.24 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 106.1 27.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.8 140.66 43.09 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.375 2.05 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -99.68 48.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.7 t -95.12 156.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -129.46 169.77 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 41.8 mtp -126.77 137.12 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.9 pt -157.17 133.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.38 -173.31 42.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.557 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -121.8 166.9 13.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.77 -167.61 11.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.65 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . 0.419 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -157.7 122.58 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.011 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.61 130.39 35.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 mp -125.79 164.87 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.823 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 mmt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -134.65 135.4 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -152.88 -173.18 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.24 115.49 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.48 9.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.772 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.51 123.93 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.958 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -115.07 137.98 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.0 mm -139.27 146.16 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.74 121.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 203' ' ' PHE . 0.0 OUTLIER -101.91 138.14 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.78 112.93 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.42 -140.11 2.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.572 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -139.29 145.42 39.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.53 131.58 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.6 120.78 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.86 -56.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.31 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.37 141.8 47.85 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 112.255 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 60.82 112.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -62.88 -52.48 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -166.04 127.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t 60.31 106.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -76.17 -33.45 59.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.3 147.2 31.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 pt -61.83 99.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 177.21 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.81 150.88 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.39 158.65 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.52 116.79 1.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.7 31.37 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.3 137.14 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.79 131.61 24.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -89.74 -50.93 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.41 -132.37 4.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 t -158.31 78.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.58 160.62 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.07 92.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.07 84.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.03 -40.54 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 60.3 79.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -75.7 -41.85 52.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.51 122.45 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.19 168.82 9.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -120.06 163.86 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 102.58 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.62 114.21 5.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 mp -117.42 127.57 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.4 m -146.0 144.69 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -113.08 125.48 54.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.76 121.95 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -136.64 103.09 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ptp -117.16 158.0 24.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.934 0.397 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.32 97.32 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.806 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 70.0 -169.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.73 45.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.09 -45.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -95.53 159.21 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.52 141.14 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.18 141.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -146.95 151.56 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 111.382 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 mp -130.02 125.0 34.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.665 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.7 t -100.83 153.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.963 0.411 . . . . 0.0 111.352 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.83 124.28 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.69 163.64 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.271 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m -125.9 89.38 52.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.73 143.93 27.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.575 2.183 . . . . 0.0 112.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -151.06 74.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -173.43 148.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.05 156.11 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -55.78 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.6 m 41.47 78.68 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.808 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.58 177.23 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.8 p -90.18 -25.66 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.89 -45.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.97 69.96 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 151.38 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.61 139.44 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.39 -30.77 7.95 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.511 2.141 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.76 42.76 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -148.65 -54.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -88.6 137.87 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.55 -179.86 24.64 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -112.38 129.64 56.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tt 61.07 168.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.71 171.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.27 121.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.06 97.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -172.89 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.1 120.13 38.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.24 96.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.2 128.41 17.47 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.476 2.117 . . . . 0.0 112.275 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.11 165.19 9.15 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.448 2.098 . . . . 0.0 112.295 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 133.15 47.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.7 123.38 48.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.6 130.31 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.755 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.95 129.12 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -111.89 141.18 45.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -149.55 133.97 17.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -141.28 94.63 7.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.6 -47.15 17.29 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.566 2.178 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.2 mtp -112.57 33.4 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.24 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.12 124.31 8.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.67 49.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 p -97.22 -170.82 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -95.11 18.37 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -94.9 174.36 7.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.57 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -76.62 117.06 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -113.32 110.61 50.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.04 137.19 40.25 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.425 2.084 . . . . 0.0 112.231 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -138.41 122.55 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.97 150.63 21.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 tt -144.76 137.67 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.67 129.45 9.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.557 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.06 138.98 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -129.76 122.69 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.56 110.55 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 121' ' ' PHE . 5.5 p -119.98 153.17 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 p -137.88 124.73 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.417 ' CE2' ' HB ' ' A' ' 119' ' ' THR . 60.7 m-85 -140.6 -179.5 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -156.88 67.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -115.25 -38.57 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 -31.71 17.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -57.28 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -31.17 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.44 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.267 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.54 82.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -124.76 -44.48 1.95 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -110.96 140.69 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -118.03 -43.48 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.29 82.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -75.28 -37.04 61.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 173.59 144.89 4.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.24 -43.67 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.4 m -136.14 143.22 44.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 103.57 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.3 mtm -121.82 -41.44 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.23 175.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 mp 60.14 177.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -126.28 152.95 45.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -98.93 31.66 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.1 t -92.94 117.98 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' A' ' 144' ' ' TRP . 0.1 OUTLIER -75.1 159.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -167.27 84.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -34.72 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.53 165.63 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.55 168.65 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.592 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -157.0 146.67 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.93 144.75 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.73 137.5 9.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -116.53 133.94 55.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 113.14 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -109.07 105.64 15.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.2 mtm -71.46 122.85 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.5 -23.66 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.57 -69.67 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.88 -32.28 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.95 30.7 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 66.98 -145.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.795 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 204' ' ' GLY . 3.7 mm? -116.38 139.37 50.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.809 0.338 . . . . 0.0 110.645 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.68 120.73 36.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.013 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -110.58 123.5 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.8 mtt -116.93 155.12 29.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -151.13 103.67 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.34 120.95 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.233 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -76.08 139.49 41.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 61.09 107.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 5.6 tpp -177.06 108.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -176.12 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.8 mp -137.27 -53.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -154.82 156.34 36.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.1 p -126.21 121.17 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -131.79 35.18 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -71.79 153.39 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 18.8 p -177.24 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.56 136.41 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.57 153.77 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -142.29 -75.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.39 -167.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.634 2.223 . . . . 0.0 112.295 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 54.1 p -90.57 -47.77 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.02 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.56 152.24 49.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -163.9 -108.02 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.16 -45.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.078 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 58.13 -174.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 91.43 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 75.5 p -122.71 -48.95 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 32.1 mttt 60.1 -173.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.61 -36.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.77 -66.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 8.8 m -147.66 -47.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 60.88 29.54 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.8 t -141.79 145.98 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -88.25 145.2 35.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.47 -170.67 0.61 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.595 2.197 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -156.8 -52.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 18.5 m -112.98 127.8 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -140.17 134.93 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.7 mtt -115.07 123.41 48.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.48 142.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.0 -162.64 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 83.7 m-85 -121.62 175.7 6.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.738 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 161' ' ' LEU . . . -143.38 131.46 4.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.602 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.15 138.02 51.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -107.63 140.9 39.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -89.94 153.74 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.19 127.55 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.906 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -116.8 91.21 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -139.11 -178.41 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.77 127.23 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.64 15.36 8.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.703 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 123.68 25.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' OH ' ' A' ' 51' ' ' TYR . 48.4 m-85 -103.54 123.53 47.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 pt -140.61 149.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 HD13 ' CE2' ' A' ' 49' ' ' PHE . 7.1 tp -111.66 144.02 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -133.65 146.14 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.8 159.0 31.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.03 -142.44 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.554 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 43' ' ' THR . 65.3 t80 -143.85 162.0 37.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 110.765 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.42 129.78 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.4 p -91.63 139.27 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 m -139.73 178.58 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.3 82.4 18.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 -36.12 11.31 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.279 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.41 90.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -68.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -99.94 124.3 45.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 158.97 17.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -80.46 125.77 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.78 156.48 22.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 pt -108.11 110.84 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 87.6 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.75 26.45 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.5 143.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.43 75.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.53 78.24 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -109.1 82.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.29 76.26 2.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 59.5 172.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.55 -171.24 43.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.29 -69.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.057 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 175.1 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 60.21 75.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.9 m -100.02 117.8 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.14 -33.42 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.23 114.68 19.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -96.92 -23.96 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.64 93.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 13' ' ' PHE . 1.9 p -108.33 130.1 55.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -77.13 118.4 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.49 109.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.791 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 109.95 3.09 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.604 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.08 127.54 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.536 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.2 m -147.45 140.47 25.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.22 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CE2' HD13 ' A' ' 9' ' ' ILE . 88.8 m-85 -120.81 115.4 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 m -103.39 129.86 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 111.249 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' OH ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 t80 -111.59 120.02 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.579 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 127.46 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -136.64 97.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.062 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 71.53 -176.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.235 -179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.48 29.14 2.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -150.46 -36.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.678 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -93.7 146.31 23.94 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.005 0.431 . . . . 0.0 111.584 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.19 160.2 31.46 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.262 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.57 146.12 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 0.0 111.22 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -138.63 121.48 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.45 132.78 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.6 151.78 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.24 126.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.29 163.66 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -111.31 98.14 38.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.63 -61.5 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.525 2.15 . . . . 0.0 112.392 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -90.41 169.31 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.34 89.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 141.83 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.31 112.81 22.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 p -162.32 120.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -157.11 -49.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.6 m -62.77 -36.69 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 116.36 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.06 36.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.33 172.94 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.81 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.06 -170.39 44.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.601 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.52 -27.57 32.89 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.19 -120.66 4.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.55 133.96 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.0 38.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.83 40.07 2.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.93 124.65 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 tp -153.68 30.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.05 -164.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -87.9 52.27 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -158.87 133.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 -69.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.48 107.88 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.1 mp -106.89 93.52 9.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.88 143.12 59.66 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.227 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.47 162.09 3.57 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.402 2.068 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.66 136.44 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.48 155.28 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.5 mt -109.86 168.17 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -136.6 120.37 17.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -128.96 120.79 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -55.4 109.0 1.34 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.95 -50.75 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 112.307 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 27.38 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.92 152.95 43.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.84 42.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.06 175.37 13.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -103.05 18.3 22.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -62.77 149.83 42.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.04 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -92.63 135.87 33.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.77 74.4 78.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.19 147.18 91.83 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.691 2.261 . . . . 0.0 112.159 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CE1' ' HA3' ' A' ' 151' ' ' GLY . 43.3 p90 -142.36 153.4 43.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.75 155.92 17.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.549 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.47 132.04 6.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -112.38 129.61 56.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.18 128.87 9.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.549 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.4 t -124.83 126.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -146.23 150.89 36.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.49 124.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.0 t -135.1 -50.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.5 m 57.43 80.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.35 112.8 7.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -114.36 150.58 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.5 147.42 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.22 -33.17 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.54 -59.79 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -31.56 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.28 -27.25 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.219 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.83 139.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.48 31.34 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -79.4 -177.83 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.95 -45.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.14 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -104.27 -31.17 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.5 115.27 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.08 -44.07 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.4 -174.25 2.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.95 144.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.87 109.57 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 139.8 52.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.6 tp -129.86 116.12 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.28 127.45 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 60.74 84.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.7 t -138.85 100.26 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 19.8 p90 -104.8 148.08 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.74 110.01 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.19 91.55 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.8 143.65 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.41 137.6 9.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 152.89 51.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.4 127.63 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.411 ' HA3' ' CE1' ' A' ' 111' ' ' TYR . . . -119.89 166.73 13.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.553 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 152' ' ' PHE . 4.0 m-85 -131.01 128.71 40.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.97 139.84 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -133.67 126.59 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.764 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.8 ttp -102.7 115.01 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.5 mt -111.16 -17.18 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.0 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.04 -72.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.88 -28.13 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.105 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.35 32.25 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 59.0 -163.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -116.73 148.52 41.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.57 141.38 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.785 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -139.83 120.73 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.68 162.96 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -156.44 137.98 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.23 152.14 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -120.45 118.41 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.87 87.59 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -112.42 -34.55 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -94.86 101.42 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.18 80.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.88 98.44 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 82.2 p -107.73 -48.93 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -115.26 -68.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.52 52.42 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.2 t -67.11 100.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.22 107.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.42 151.9 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 112.45 84.66 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.96 84.34 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.552 2.168 . . . . 0.0 112.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 58.7 m -145.07 61.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -143.65 163.22 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 101.11 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 62.26 -177.35 5.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 25.9 t 63.35 93.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.99 -69.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -134.48 130.26 36.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.4 m -142.9 128.97 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.96 156.04 46.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.8 m -145.04 161.79 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.47 -34.34 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.24 -13.49 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.526 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.82 74.76 0.39 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.901 0.382 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.91 -19.36 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 111.65 7.94 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.33 -41.02 3.86 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.397 2.065 . . . . 0.0 112.303 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 199' ' ' TYR . 1.0 OUTLIER 61.51 160.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.71 123.49 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.442 ' CZ ' ' CD1' ' A' ' 197' ' ' TRP . 55.5 m-85 -128.61 158.96 37.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.0 mtt -143.41 119.39 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.19 126.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.36 -162.79 14.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.57 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.25 178.57 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.95 162.62 29.47 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.43 151.11 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -113.47 133.17 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.35 141.76 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 17.7 tp -102.38 121.3 42.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.335 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -80.23 95.42 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -105.8 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 116.99 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.412 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 116.11 15.59 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.702 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.76 147.08 43.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.52 124.26 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mp -130.13 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.86 141.71 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -153.78 164.46 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.37 144.47 8.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.67 -171.45 15.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.93 161.96 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 149.88 24.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -110.11 122.99 48.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.12 82.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -170.35 87.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 175.41 8.51 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.564 2.176 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.41 -47.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -31.68 71.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 p -105.28 176.85 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.1 p -162.68 179.38 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.28 152.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 pp -111.52 -31.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.215 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -147.14 111.37 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.52 104.06 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -138.95 92.46 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.59 -86.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.75 -45.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -157.02 -178.41 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 -173.32 3.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.45 39.92 1.56 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.6 m 62.02 151.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -75.1 79.81 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.49 -43.51 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.16 123.73 9.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.2 p -140.46 63.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.09 120.91 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.43 -35.8 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 60.18 36.48 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 49.9 m -99.76 151.64 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.09 163.9 29.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 135.86 56.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.4 97.98 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.666 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp -102.54 150.85 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -150.85 155.83 39.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.403 . . . . 0.0 111.26 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -128.36 117.07 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -94.78 125.35 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.316 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 4.6 t80 -111.04 100.92 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.1 mmt -69.11 127.59 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.418 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -137.93 97.24 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 69.3 177.78 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.204 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.12 33.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.806 0.336 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -150.41 -34.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.637 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -99.52 149.88 22.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 111.487 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.55 119.18 0.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.69 149.34 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.344 . . . . 0.0 111.186 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -140.87 138.54 34.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.7 mt -108.04 150.43 27.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.41 140.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.16 137.73 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.36 163.7 32.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.59 85.2 10.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_exo -51.49 177.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.522 2.148 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -160.21 129.23 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.26 134.45 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -104.65 -36.48 7.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -108.29 170.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.6 148.83 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.72 105.03 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -153.83 -46.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.7 162.95 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.83 -27.67 17.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.2 tt -68.0 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 147.74 -139.2 7.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.2 -45.54 33.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.532 2.155 . . . . 0.0 112.363 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.97 98.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mt -142.37 34.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -159.98 150.77 19.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.95 153.71 20.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 60.85 31.36 20.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.11 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.97 30.57 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.56 120.29 32.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.0 pt -157.94 -43.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.22 -47.18 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.07 143.82 26.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mt -106.04 154.21 39.69 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.43 128.39 22.37 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.533 2.155 . . . . 0.0 112.248 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.92 165.13 7.06 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.414 2.076 . . . . 0.0 112.383 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 114.26 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 128.95 51.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.89 124.87 25.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.75 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.8 131.99 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -125.7 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.88 150.24 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 m-85 -105.65 101.84 34.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 -51.11 5.98 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.539 2.16 . . . . 0.0 112.322 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.22 33.33 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.11 121.03 11.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.84 44.94 1.07 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p -132.06 -171.91 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -92.71 18.3 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p -73.12 146.57 45.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.06 -50.94 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -91.27 145.2 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.37 75.93 2.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.91 134.05 19.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 19.0 p90 -122.87 134.38 54.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.8 20.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.98 -147.0 7.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 152.48 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.22 178.92 16.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.7 m -147.99 126.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -99.14 114.52 27.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.6 103.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.93 72.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.6 p -129.86 115.64 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 124' ' ' GLU . 53.5 p90 -94.27 156.59 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -107.06 -32.72 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -130.53 114.46 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 7.6 pt-20 -94.7 -35.27 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.16 -41.78 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -31.85 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.61 -31.59 36.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -85.28 171.04 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -122.48 84.76 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.89 155.44 42.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.43 41.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 61.14 68.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 31.26 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -136.21 38.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.31 -45.94 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -99.1 32.45 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.7 m -157.85 98.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 mtt -98.51 169.95 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -130.65 172.55 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.41 163.2 26.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -103.28 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.13 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.0 p 53.97 97.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.31 117.32 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.72 171.44 36.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 60.14 76.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 110.818 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -129.7 102.42 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -66.57 161.98 45.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -168.23 139.79 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.04 128.22 44.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.42 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -121.28 149.19 17.35 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.404 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -108.04 116.92 32.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -95.05 109.44 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -119.5 109.42 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.2 mtt -93.57 139.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.63 -38.36 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.67 -2.02 2.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.58 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -85.95 -44.11 12.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -136.26 -32.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.513 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -176.66 -163.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 111.055 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.6 mt -116.67 138.94 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.61 146.22 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.74 144.0 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.84 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.19 132.73 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.63 137.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -123.69 40.86 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.03 82.54 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 4.6 ttt -125.86 136.01 52.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -83.75 -178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . 0.436 HG23 HD13 ' A' ' 171' ' ' ILE . 0.2 OUTLIER -139.92 139.01 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -132.53 31.21 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 27.2 p -88.1 -38.92 15.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -28.82 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 63.71 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.5 t 60.07 108.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.33 128.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -82.69 145.68 29.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -112.58 -114.73 3.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 139.19 65.96 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.45 2.1 . . . . 0.0 112.381 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.7 m 60.08 84.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -105.97 114.64 28.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 5.7 tp 60.61 166.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 154.85 -105.9 0.28 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 12.0 p -114.24 155.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.3 m120 60.64 99.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 164.98 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.1 t -61.83 -48.08 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 24.97 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 26.2 m -157.39 179.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 59.36 81.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t 61.11 88.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -149.14 -57.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.09 80.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.4 154.48 44.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 155.77 59.29 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.527 2.151 . . . . 0.0 112.163 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -106.14 124.12 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 14.5 m -149.32 123.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -145.17 172.36 13.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.2 mtm -112.23 129.83 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.03 141.57 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.73 -162.93 27.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.558 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -133.08 176.38 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.4 -161.44 13.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -156.29 159.66 39.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.06 137.23 54.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -68.9 132.87 47.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.55 164.73 23.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.937 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.721 0.296 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 131.1 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -162.27 153.21 17.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 132.98 52.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.49 15.4 32.3 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.739 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.17 147.02 53.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -120.11 115.47 23.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.36 140.78 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -95.24 152.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.89 135.19 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.01 144.69 15.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.74 148.57 18.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.84 118.25 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.778 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.12 151.63 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.23 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.36 34.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -168.8 83.5 0.69 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 -41.74 65.66 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.562 2.174 . . . . 0.0 112.201 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.87 32.37 20.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 -32.06 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.56 65.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -104.25 -34.04 8.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -164.18 140.37 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 tt -127.35 -44.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -148.77 162.58 39.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 tt -105.79 -31.0 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 60.46 -178.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.78 -83.19 0.11 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.558 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.03 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -74.51 146.75 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.06 80.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.27 147.58 41.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.98 157.27 20.12 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -79.44 95.62 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.35 145.67 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.27 -49.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.82 117.91 35.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.87 -66.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.21 130.51 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.2 m -91.95 -38.21 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.51 102.36 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -117.0 129.74 56.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -133.19 125.3 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.62 103.89 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.2 111.3 3.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.41 127.49 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.749 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.6 p -141.2 150.7 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . 5.7 m-85 -126.6 123.13 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.66 110.09 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 49' ' ' PHE . 12.0 m-85 -101.76 100.94 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 132.26 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -131.53 97.2 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.239 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.19 -173.77 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.268 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -94.71 33.02 1.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.635 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -150.25 -35.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.954 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -103.35 142.58 33.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.569 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -150.92 125.34 1.88 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.153 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 t -100.73 144.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.289 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.13 121.81 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 mp -103.28 148.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.3 m -124.57 147.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.24 131.14 3.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 163.48 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.2 p -87.61 149.18 45.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.04 168.79 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.557 2.171 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.51 -63.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -175.54 161.85 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -144.63 122.78 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -139.75 41.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t 68.95 -67.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -103.88 78.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.5 m -135.71 -46.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.02 86.94 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.58 82.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.552 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 tp -84.89 140.94 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.34 60.74 6.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.31 110.31 2.63 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.563 2.175 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.71 -115.52 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.54 173.24 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -162.46 123.8 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.42 -93.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -63.81 167.37 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.25 32.49 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.21 85.05 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -96.48 42.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mt 68.58 -67.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.81 116.9 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.2 91.62 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.85 139.26 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.91 128.53 11.63 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.512 2.142 . . . . 0.0 112.293 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.22 151.45 34.21 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.453 2.102 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.6 m -114.41 122.42 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.7 tp -97.69 140.54 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 tt -139.34 153.51 47.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.51 142.41 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.56 149.08 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -112.99 150.13 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HA3' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -116.62 78.75 9.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 -45.64 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.525 2.15 . . . . 0.0 112.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.62 30.59 5.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 99' ' ' TYR . . . -96.17 129.68 9.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.39 64.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.85 179.07 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -96.37 18.36 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.1 p -80.88 139.53 35.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.33 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.81 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 152' ' ' PHE . 0.4 OUTLIER -84.93 113.65 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -133.6 97.74 15.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.407 ' HB3' ' CD2' ' A' ' 152' ' ' PHE . 58.2 Cg_endo -71.63 -179.59 3.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.489 2.126 . . . . 0.0 112.195 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -175.82 169.84 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.75 163.63 30.99 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.14 93.9 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mp -111.44 135.24 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.38 137.95 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.426 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.14 143.42 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.5 109.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -170.67 147.41 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.8 m -74.51 148.15 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.02 32.84 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -160.61 172.62 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.4 176.23 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.86 114.29 25.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -28.53 16.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -58.11 9.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -29.92 70.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.25 -47.13 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.7 m -106.96 38.44 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -175.45 161.0 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 60.69 96.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 78.1 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -165.13 133.25 3.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.51 149.82 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -156.55 -50.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.8 126.67 54.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -108.7 113.95 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.08 138.12 49.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.3 ttp -131.87 116.45 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -82.21 138.19 34.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 38.07 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.01 33.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -153.62 32.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 p -127.84 35.73 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -68.56 167.87 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 156.17 -53.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 108.82 21.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.13 86.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.51 146.16 18.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -146.02 157.21 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.55 132.28 54.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.74 141.49 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.652 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 108' ' ' PHE . 85.6 m-85 -130.35 104.3 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.761 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.75 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -127.93 121.31 29.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 19.0 mtt -79.5 110.34 14.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.88 -19.32 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.67 -79.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.19 -27.74 67.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -117.94 33.85 5.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.88 -147.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.55 141.78 47.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.813 0.34 . . . . 0.0 110.734 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.68 117.88 31.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -102.19 105.64 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 19.5 ttt -110.41 129.93 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -128.72 126.9 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.201 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.409 HG13 ' CE1' ' A' ' 199' ' ' TYR . 15.3 m -129.95 145.78 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.041 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.03 -61.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 60.37 86.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.41 -69.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.86 117.27 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.04 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.1 tp -179.5 -38.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.47 139.7 37.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.67 133.64 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.76 -31.74 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.8 105.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.4 t -104.94 -52.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.9 pt -122.87 79.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -68.7 138.86 55.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 160.66 -84.66 0.12 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.35 -35.6 65.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.599 2.199 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 80.3 p -113.92 32.52 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -77.31 -51.11 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.59 -38.02 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 89.14 134.96 5.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.93 -43.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.214 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -129.59 31.29 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -176.66 134.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 148.75 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -84.11 -42.64 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -162.11 132.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -113.14 -67.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.59 -52.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -164.41 70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 27.7 m -64.07 -45.03 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.223 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.34 140.57 21.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.43 159.85 39.38 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.571 2.181 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -73.26 86.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.19 134.85 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.409 ' CE1' HG13 ' A' ' 166' ' ' VAL . 5.1 m-85 -146.46 171.29 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -109.72 117.18 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.56 145.23 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.7 23.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.85 166.3 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.79 155.18 26.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -159.56 123.91 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.85 139.82 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.44 156.18 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.08 142.72 26.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -138.58 104.67 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.13 147.21 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 138.96 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.38 15.48 47.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.716 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.18 139.13 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -101.96 135.27 43.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -144.41 126.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.38 145.06 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -140.54 137.22 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.75 178.78 44.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.73 146.4 15.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -150.88 148.32 28.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -120.4 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.57 121.43 24.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.7 m -115.12 78.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.74 90.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.47 -53.99 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.495 2.13 . . . . 0.0 112.245 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.57 80.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.07 -59.92 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -172.79 87.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.9 167.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -98.68 30.49 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 64.36 15.61 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.0 tp 178.03 130.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.04 149.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mt 61.99 79.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.12 -56.46 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.55 42.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.02 106.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -107.53 116.72 32.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 60.19 108.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -112.98 155.6 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.31 158.14 21.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -130.1 157.16 43.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.27 92.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 97.79 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.2 p -141.3 73.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 101.73 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 p -87.52 -23.0 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -54.68 -43.88 72.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.07 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.59 110.43 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -163.88 134.1 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 102.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.97 124.01 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.616 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.85 134.72 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.69 145.54 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -119.57 112.36 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.6 m -96.12 138.49 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.13 100.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.8 ttm -62.06 118.9 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -138.04 97.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.991 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.6 -176.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.5 31.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.723 0.296 . . . . 0.0 110.425 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -150.53 -35.91 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.827 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -97.63 150.71 20.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.036 0.446 . . . . 0.0 111.445 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.44 125.25 1.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.77 125.37 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -124.73 134.16 52.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.7 mt -115.64 149.87 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.4 t -107.76 143.66 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.9 131.54 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 163.69 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -142.13 94.93 6.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.23 61.35 3.31 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.558 2.172 . . . . 0.0 112.35 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 57.56 168.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.74 142.53 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -87.49 68.74 9.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 125.87 27.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 m -103.73 149.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.61 159.1 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.12 31.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.74 99.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.7 -29.1 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -133.94 105.03 6.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.74 -149.12 7.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.75 120.72 7.62 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.576 2.184 . . . . 0.0 112.289 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.01 74.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 tp -98.07 -66.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.91 171.42 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.54 3.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -88.94 -64.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.41 32.65 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.5 83.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.17 174.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 pt -107.28 130.66 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 148.05 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.41 115.22 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.18 93.52 42.67 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.64 128.54 29.64 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.494 2.129 . . . . 0.0 112.196 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.84 120.14 5.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.469 2.113 . . . . 0.0 112.308 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 p -158.95 126.06 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.81 128.0 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.38 122.45 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.7 117.54 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -106.03 139.26 40.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -149.76 150.07 31.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.96 107.4 18.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -44.62 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.422 2.082 . . . . 0.0 112.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 ttt -126.06 31.51 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.62 134.16 12.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.48 44.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.6 t -137.09 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -96.43 18.18 14.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.47 176.28 9.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.6 -39.02 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 51.2 p90 -87.12 123.4 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.84 110.61 33.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -51.85 170.95 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.234 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.37 110.94 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.6 101.49 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.42 151.59 18.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.98 137.87 12.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -91.49 125.8 8.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m -123.31 148.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.87 144.98 48.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.28 168.91 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.9 163.72 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.6 t -170.1 140.82 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 92.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 61.6 152.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -173.79 -174.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -85.92 -37.32 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -33.15 73.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.69 -38.17 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.7 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.8 p -167.81 147.59 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -117.55 29.51 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 58.31 85.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -78.1 -177.34 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -132.81 149.9 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -100.42 118.43 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -158.38 -143.76 3.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.06 32.86 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.23 177.99 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 82.6 p -162.59 124.57 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -94.05 47.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -59.61 98.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.28 87.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -158.33 112.41 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.84 56.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.69 24.79 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.01 163.18 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.58 -52.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 tp 59.94 30.54 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.71 115.14 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -116.68 156.66 15.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.99 144.98 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.13 130.16 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.52 -179.12 19.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -138.59 138.59 38.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.47 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -109.46 120.65 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.7 114.05 25.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 5.4 mt -109.25 -23.6 11.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.03 -73.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.7 -30.64 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -116.9 33.76 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.41 -165.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mp -118.24 148.32 42.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 203' ' ' PHE . 1.2 m-85 -110.47 144.98 38.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.7 138.56 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.4 mtt -132.21 164.55 26.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -157.88 138.49 12.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.66 146.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -74.42 -52.83 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.22 -169.14 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.28 -70.2 0.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 5.6 t0 70.12 -63.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 8.7 mt 77.41 80.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.92 -167.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.746 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 t -177.31 116.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -97.04 23.5 7.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 56.52 52.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.213 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.2 p -143.26 135.62 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -101.63 159.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -59.88 139.0 57.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -116.01 108.34 1.82 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.384 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 121.28 8.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.415 2.076 . . . . 0.0 112.262 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 11.1 t -77.26 -47.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -102.12 102.8 13.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.98 83.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 162.94 -37.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.0 p -133.79 133.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -160.42 -177.56 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 151.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.2 p -127.61 146.3 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.63 110.29 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 12.8 p -93.13 115.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.0 74.42 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 17.5 t -143.99 52.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -98.63 30.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.5 m -159.23 82.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.22 161.77 77.65 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.84 -169.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -140.59 -47.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.3 t -114.99 138.77 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -109.28 147.57 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 88.6 mmm -111.44 116.15 30.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.3 tt -140.73 140.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.64 -167.54 13.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 162' ' ' PHE . 2.6 m-85 -122.02 -179.68 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.58 155.73 26.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -159.68 127.0 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -86.7 134.15 33.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -127.94 136.85 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.78 163.48 16.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 60.31 104.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -145.08 157.51 44.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.07 132.96 41.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.68 15.44 29.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.707 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.2 153.37 42.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -111.82 147.58 35.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.0 mt -139.3 141.07 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.41 126.52 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.2 150.49 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.23 137.55 5.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.21 -132.11 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.552 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.44 161.73 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.15 123.28 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.72 128.94 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -123.95 179.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 62.06 148.82 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.89 -26.07 22.66 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.511 2.141 . . . . 0.0 112.349 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -97.31 -35.69 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.66 35.18 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -114.31 -179.21 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -124.52 -177.74 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 60.15 72.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.3 mm -135.68 -47.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.43 -173.81 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp -162.35 37.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.02 -43.24 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.05 -155.06 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.582 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.76 -62.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.95 136.29 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.15 139.12 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -145.16 166.68 24.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.08 -161.58 8.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -62.8 -31.57 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.71 99.34 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.83 -50.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.2 m -105.03 92.23 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.87 -62.2 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.42 76.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -82.15 -37.13 26.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -81.36 159.75 24.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.64 163.43 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -130.71 141.37 50.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.05 131.51 39.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.97 121.12 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.91 127.94 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.799 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -142.74 132.36 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.43 121.85 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.39 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.116 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 3.1 m-85 -113.85 126.56 55.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.659 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.5 ttm -96.44 125.84 41.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -135.9 97.31 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.03 -175.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.57 34.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.2 -35.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.647 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -101.32 142.19 33.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 0.0 111.439 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.89 130.18 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.076 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.38 148.92 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.326 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -146.93 143.65 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.06 150.38 49.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.24 139.4 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.74 119.39 5.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.45 162.56 24.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.0 t -120.23 114.49 33.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.25 -26.96 41.51 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.452 2.101 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -99.08 132.6 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.02 -45.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.24 -42.9 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.83 86.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 m -124.77 -43.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.0 122.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.4 t -103.63 38.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.42 -178.23 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.41 -34.98 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.89 141.56 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.72 -91.24 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.89 -44.18 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.571 2.18 . . . . 0.0 112.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.43 -83.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mp -113.08 -65.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -68.03 139.79 56.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.04 154.1 6.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt 62.21 117.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 117.71 6.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.51 103.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.64 -62.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.2 mt 61.05 31.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.045 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -31.2 26.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.64 142.78 48.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -119.52 102.32 47.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.35 153.86 6.7 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.412 2.075 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.9 124.86 11.43 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.562 2.175 . . . . 0.0 112.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -83.23 115.68 22.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.36 142.17 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.62 153.08 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.88 142.45 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -109.92 131.29 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -132.64 139.85 47.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -106.62 87.44 2.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.52 -36.62 8.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.532 2.154 . . . . 0.0 112.414 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 51.0 mtt -123.99 32.48 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.75 136.58 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.563 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.25 33.93 1.41 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -115.18 175.61 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.29 18.32 12.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -71.01 152.86 43.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.09 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.39 152.12 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 74.48 2.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.09 138.32 30.63 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.597 2.198 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -148.61 146.58 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.81 157.34 30.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.88 127.8 2.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -116.94 143.92 45.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.72 153.65 17.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.8 m -110.87 144.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -129.96 128.83 42.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -125.84 114.38 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.6 p -75.87 -69.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -144.94 157.5 44.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.96 175.23 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -104.32 156.2 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -78.59 -35.22 46.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.17 -41.38 81.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -31.44 66.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -73.97 -41.75 61.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.5 -32.14 24.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.2 t 60.18 -177.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -107.63 165.98 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -91.85 148.32 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 96.93 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -162.12 -62.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -171.37 154.85 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 129.0 102.28 1.05 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.426 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -151.29 128.87 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.98 -69.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 p -93.41 168.26 11.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.37 78.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -101.46 132.25 47.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tp -129.53 -65.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.84 104.14 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -104.56 -33.4 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.28 139.91 37.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -133.86 119.57 19.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -124.81 124.39 5.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.67 99.89 9.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.835 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -134.2 91.44 2.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.22 145.76 19.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.29 152.98 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.9 mp -111.93 132.27 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -125.35 142.38 13.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -131.14 117.96 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.11 151.87 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -141.01 127.31 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.4 ttt -98.39 119.5 37.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mp -103.72 -1.23 28.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.391 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.99 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 111.267 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.28 -35.29 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.285 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -97.49 33.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 56.72 -163.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.7 mp -116.79 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.908 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.8 149.06 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -132.69 150.16 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 ttp -131.46 147.39 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -135.93 123.14 21.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.9 143.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 -79.0 159.99 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -61.5 174.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.57 170.88 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.49 -55.24 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.9 mt 59.63 102.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.05 79.51 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 26.7 m -85.55 83.89 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.42 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.43 169.44 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.21 92.13 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.6 pt -107.33 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.25 115.88 8.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 179.7 61.3 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.18 -56.85 2.0 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.603 2.202 . . . . 0.0 112.209 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 6.9 t -167.09 33.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.55 150.25 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.61 161.57 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 138.58 -54.68 0.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.41 31.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -173.63 122.97 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -38.04 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 9.7 t -98.71 153.1 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -129.8 104.75 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 28.9 t -82.06 91.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.11 -46.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.3 t 65.12 84.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -161.41 72.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.62 137.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.26 112.11 19.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.08 -168.27 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.537 2.158 . . . . 0.0 112.301 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -164.87 76.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -132.67 113.65 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.99 127.35 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.6 mtt -106.77 126.69 52.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 5.3 tp -146.03 139.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.05 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -162.1 166.38 36.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.555 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.53 158.24 36.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.2 -173.76 37.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.33 138.87 46.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.16 104.57 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -81.38 137.6 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.8 pp -138.3 121.99 17.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.752 0.311 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.03 153.55 51.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -157.36 154.32 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.36 119.68 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.83 15.44 7.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.724 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.26 138.95 40.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.762 0.315 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.68 133.4 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mp -139.84 149.24 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.01 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 mt -121.86 152.13 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.93 150.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.53 159.31 27.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.374 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.15 -166.77 23.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.727 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -154.38 162.11 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 123.34 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.04 135.38 50.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.3 m -157.21 31.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 61.23 72.42 0.69 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.56 -40.92 3.63 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.548 2.165 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 94.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 -63.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 22' ' ' SER . 4.4 p 69.95 -61.78 0.44 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 21' ' ' SER . 0.3 OUTLIER 63.33 84.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.65 110.73 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.45 -64.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -100.65 -16.59 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.55 158.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.4 mt -109.69 -177.71 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -167.07 34.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 -106.43 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.564 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.43 142.83 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -141.59 160.29 40.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -162.24 -70.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -72.08 128.07 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.42 179.42 36.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 p -130.23 168.59 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.39 122.31 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.37 30.95 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.8 t -90.7 140.47 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -140.56 32.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -63.26 84.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -101.68 -4.09 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.415 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 31.08 2.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 151.85 27.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -140.87 121.9 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 101.12 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.719 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.43 125.85 8.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.97 158.78 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -149.87 135.51 18.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.73 104.69 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.533 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.6 m -95.13 126.24 40.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.42 100.92 8.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 133.9 49.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.21 97.2 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.43 179.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.298 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.68 36.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.666 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -150.28 -35.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.717 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 49.7 t-105 -108.65 150.07 28.05 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.11 122.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.265 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.19 151.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 111.355 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -141.29 139.87 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.67 150.41 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 143.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.84 160.1 33.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.26 144.87 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 109.4 2.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.57 -42.38 49.69 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.397 2.065 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.88 29.29 18.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -122.01 30.87 6.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.64 131.54 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.8 109.66 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.38 104.24 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -131.32 142.57 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.25 49.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -140.79 24.94 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.13 -27.87 2.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.592 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp 63.24 86.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.95 -97.94 0.16 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 140.05 27.45 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.495 2.13 . . . . 0.0 112.413 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.05 -109.17 3.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.06 151.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.63 -37.95 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.61 -137.54 19.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.52 101.75 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.21 122.91 26.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.64 131.56 33.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 tt -110.98 135.76 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -122.0 153.9 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -145.34 133.51 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.77 145.67 94.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.44 156.26 50.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.551 2.168 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.68 155.06 63.62 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.534 2.156 . . . . 0.0 112.264 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -115.21 142.68 46.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 mp -122.8 137.13 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.87 137.7 51.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mp -102.35 149.83 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.77 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.81 130.57 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.35 122.69 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.4 p90 -134.32 97.45 14.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 -27.89 23.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 112.355 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 mtp -122.83 33.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.72 123.04 7.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.97 46.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.438 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -121.02 174.73 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -95.56 18.34 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.67 158.9 23.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.13 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.5 133.15 34.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.23 84.66 6.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 151.04 81.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.601 2.201 . . . . 0.0 112.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -140.58 146.41 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.0 105.79 2.91 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.32 140.95 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -139.44 150.41 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.27 143.14 16.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.05 158.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.81 155.99 16.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -105.71 149.62 26.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.5 108.02 3.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.3 p -123.94 145.16 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -110.26 -177.61 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.21 -66.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -177.31 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.42 -27.32 60.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.71 -47.01 80.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.24 -28.74 47.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.74 -30.78 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 177.54 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -89.0 137.35 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -66.58 -41.66 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 157.65 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -151.18 176.72 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -152.57 144.25 23.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.58 150.69 8.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.87 97.23 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.15 122.09 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.9 p -81.13 118.78 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 33.2 mtm -142.7 112.07 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 31.16 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 tp -144.95 -58.5 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.13 93.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.17 -61.55 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 m -141.73 -47.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -90.71 153.35 20.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.94 -34.32 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.09 92.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -138.9 102.28 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.73 137.19 41.67 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 146.09 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 10.6 mp -109.17 134.13 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.98 126.18 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.18 116.49 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 124.01 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -110.33 135.45 51.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt -102.63 110.23 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.31 -25.62 10.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -71.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -30.98 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -113.52 31.06 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.51 -165.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.79 132.77 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -101.52 138.24 38.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.06 125.59 46.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.9 157.06 16.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -144.85 113.67 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 4.3 m -131.89 168.97 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -69.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -166.1 -62.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.43 159.94 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -172.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 14.3 pt -97.83 -30.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.63 93.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.2 t -87.82 142.18 28.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 -47.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -71.47 84.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 45.9 p -79.09 -57.97 3.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -82.76 107.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -87.17 146.04 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -177.79 68.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.07 177.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.558 2.172 . . . . 0.0 112.367 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 13.5 m -150.71 -56.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -135.56 71.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.89 156.11 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -67.3 129.28 28.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 17.2 m -101.46 145.49 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -176.53 96.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.24 159.23 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.15 130.79 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -71.96 68.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 23.8 m -148.86 171.34 2.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -106.08 -68.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.9 p 43.44 30.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.663 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -178.1 82.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.74 138.77 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -117.41 146.64 38.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 164.02 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.516 2.144 . . . . 0.0 112.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -128.53 31.19 5.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.36 155.11 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -137.12 160.38 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.2 ttp -100.98 121.0 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.99 135.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -164.41 -172.63 32.12 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -142.18 163.43 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.0 -172.76 36.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -143.29 148.16 35.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 37.1 pttt -107.77 139.31 42.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 141.41 54.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.04 124.62 42.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.856 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.89 0.376 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -110.38 97.65 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -163.42 -177.8 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.59 132.86 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.46 15.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -79.88 148.53 31.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -123.74 137.2 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.5 mt -136.28 149.36 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.67 149.93 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.91 147.81 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.07 149.77 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.67 -149.41 6.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.625 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.412 ' CD2' HG21 ' A' ' 43' ' ' THR . 10.2 m-85 -136.38 161.29 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.2 145.41 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 p -156.27 155.3 32.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.5 -30.27 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.202 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -146.47 142.97 18.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.94 -27.62 28.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.265 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -129.42 118.11 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.77 -59.13 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.19 149.54 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -108.01 98.46 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -101.92 146.85 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t0 61.37 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.0 mm -116.51 131.61 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.42 166.47 32.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 -56.22 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.91 97.65 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.17 179.69 39.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.1 155.23 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.74 79.45 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.67 118.53 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 68.79 -67.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.78 -175.25 46.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 p 56.64 -175.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.774 0.321 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -145.29 96.41 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.83 -75.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.11 -67.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -157.83 30.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -112.2 158.15 20.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -91.34 11.21 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.5 t70 61.61 29.21 18.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.8 0.334 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.412 HG21 ' CD2' ' A' ' 13' ' ' PHE . 1.4 m -139.61 150.78 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.8 132.07 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.39 145.54 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 107.24 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.719 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -115.02 150.61 35.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.663 0.268 . . . . 0.0 110.554 179.759 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.8 m -154.84 148.24 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 111.385 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.441 ' CZ ' ' CD2' ' A' ' 47' ' ' LEU . 64.3 m-85 -131.58 108.68 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.8 m -94.7 116.14 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' CE1' HD11 ' A' ' 61' ' ' LEU . 8.9 m-85 -103.92 106.51 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ttt -68.55 127.66 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 5.0 m-85 -133.45 97.27 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.42 -172.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.95 31.12 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.524 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 -37.41 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.548 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.4 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.38 153.75 20.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.039 0.447 . . . . 0.0 111.318 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.32 104.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.16 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -100.6 151.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.348 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -136.15 111.59 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD11 ' CE1' ' A' ' 51' ' ' TYR . 5.2 mp -96.25 117.63 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.8 m -100.94 147.4 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.2 120.37 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.75 160.2 33.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 t -96.15 125.79 46.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.57 -167.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.43 2.086 . . . . 0.0 112.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -161.48 135.31 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -137.77 170.09 16.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -162.63 172.42 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -80.92 153.81 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 m -147.17 -47.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -82.3 171.0 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.95 -45.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -43.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.98 -54.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.74 -175.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.02 110.78 2.51 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.419 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.26 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.5 2.133 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.59 42.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -166.9 85.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.326 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -106.09 35.33 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.46 45.62 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -69.78 109.18 4.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 -45.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.63 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.252 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 60.33 160.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 pt -139.22 146.57 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.72 -174.74 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.8 113.02 20.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.56 156.93 50.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.43 166.92 16.03 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.57 2.18 . . . . 0.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -51.06 141.73 36.82 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.605 2.204 . . . . 0.0 112.333 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.5 t -75.67 140.53 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 149.81 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.4 126.63 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.55 142.14 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.628 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 41.5 mt-30 -150.51 164.97 34.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.456 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -148.98 142.73 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -67.07 109.89 4.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 -51.04 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.402 2.068 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.64 33.44 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -56.19 122.13 26.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.99 32.94 1.6 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -116.77 -178.39 3.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -99.17 18.31 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -85.67 128.69 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.0 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 106' ' ' SER . 42.3 p90 -71.33 129.36 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -100.49 97.57 6.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.56 140.91 44.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.429 2.086 . . . . 0.0 112.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -120.43 102.1 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.54 116.49 5.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -165.38 -153.55 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.848 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.26 149.42 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.67 177.73 30.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.03 138.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.55 116.24 32.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.37 149.23 36.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 p -122.41 179.31 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.1 p -98.37 119.94 37.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.28 145.48 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -103.67 -62.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.87 123.11 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 11.14 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.305 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.66 -42.28 29.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -37.14 76.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.75 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.06 129.52 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.52 -57.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.02 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.91 32.03 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 62.66 -80.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.274 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 -168.94 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.97 -132.98 11.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 59.68 30.75 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -105.48 126.23 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -111.3 111.08 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.5 mtt 59.72 101.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.6 106.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 pp -93.22 94.12 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.37 94.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -110.88 -69.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -114.8 31.12 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.78 111.75 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.41 121.43 5.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.402 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 13.1 mt -107.67 110.62 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.72 94.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -59.54 170.43 6.1 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.61 140.59 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.68 126.55 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.41 151.66 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.96 92.55 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.99 132.37 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.99 117.74 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.3 ptp -92.62 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.33 -20.18 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.57 -68.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -28.43 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -120.78 32.81 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.046 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.76 -157.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.43 126.0 52.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.57 137.64 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -131.81 126.18 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.22 169.91 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -153.63 106.31 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.68 172.75 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 61.77 157.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -162.95 165.07 25.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.01 107.45 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -88.86 164.05 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 19.7 mt -98.25 35.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.23 168.6 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.6 m -69.9 157.9 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -122.52 70.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -143.11 -46.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.9 m -106.83 76.96 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.9 mp -141.44 116.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.92 124.41 21.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -161.29 -156.29 8.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.95 82.72 0.77 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.9 p -107.24 -74.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.97 -176.73 6.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.56 130.97 42.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 155.21 -61.58 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.4 t 62.05 90.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -146.28 88.07 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -74.08 155.39 38.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.1 p -156.09 -46.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -60.53 172.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.73 92.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -72.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.2 p -177.8 -40.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -124.04 58.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.8 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.23 -66.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.61 149.62 46.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 165.76 1.06 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.59 2.193 . . . . 0.0 112.283 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -177.09 161.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 26.4 m -89.62 142.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.04 130.23 35.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.06 124.83 31.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.3 tt -136.23 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -166.01 173.28 41.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -137.02 158.6 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.2 -164.46 17.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -159.6 134.99 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -86.79 140.86 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -69.41 122.05 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 160.86 29.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.842 0.354 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -100.28 155.48 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 157.49 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.81 144.98 51.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.46 58.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.707 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.3 133.49 35.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -109.08 128.34 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.742 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -138.72 148.51 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.267 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.8 mt -100.28 158.83 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.2 ttm105 -162.73 148.2 12.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.89 146.1 17.09 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.323 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.39 165.18 12.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.693 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -148.84 107.62 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.27 151.68 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -91.32 151.82 20.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -101.57 108.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.88 140.72 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 114.15 3.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.43 2.087 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.39 31.16 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.8 -27.41 69.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 p -93.84 45.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.75 -46.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m 62.09 105.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.87 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 pt -111.69 105.84 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 179.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.72 156.49 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.56 89.2 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.83 -154.97 9.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.92 -68.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.94 98.92 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 137.43 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -167.25 -43.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.15 176.46 37.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 m 62.4 149.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 109.36 17.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.56 22.59 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 24.9 m 57.5 106.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.063 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 m -123.56 -43.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.8 41.81 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -60.6 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.82 33.85 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.4 t -120.84 138.85 53.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.7 150.27 45.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.59 133.57 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.93 125.61 8.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.615 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.8 127.45 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.316 . . . . 0.0 110.637 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.5 t -146.7 151.93 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.15 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.59 119.24 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.84 132.17 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.0 100.93 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 125.67 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -136.19 97.24 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.239 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.02 -174.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.334 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.32 33.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -150.37 -36.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.831 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -99.55 137.77 37.57 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 121.057 0.456 . . . . 0.0 111.418 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.91 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.335 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.03 135.53 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -141.5 144.44 34.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tt -112.07 121.51 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.79 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.99 154.6 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.28 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.63 164.41 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.33 163.33 16.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 p -114.8 77.91 4.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.77 56.2 5.54 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.588 2.192 . . . . 0.0 112.542 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 52.08 29.68 6.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -174.61 133.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.08 179.56 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -75.75 -64.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.91 123.31 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.28 -169.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.43 -38.42 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.99 149.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.39 68.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -141.24 -50.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.7 177.28 45.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.05 116.47 4.6 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.89 176.72 19.59 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.05 167.61 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.79 -170.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.17 175.62 39.46 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -149.66 172.03 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.78 72.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.91 114.1 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.99 -59.62 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 pt -71.74 135.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -176.47 -43.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -66.12 99.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 137.87 28.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.785 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.32 142.72 27.25 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.168 . . . . 0.0 112.368 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.64 164.91 33.67 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.496 2.131 . . . . 0.0 112.299 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -87.74 114.08 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -99.6 129.02 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.44 130.35 34.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -118.0 135.58 54.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -126.24 150.21 48.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.425 ' CD1' ' CA ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -99.83 97.25 5.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 -46.09 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.478 2.119 . . . . 0.0 112.267 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.79 29.86 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' CA ' ' CD1' ' A' ' 99' ' ' TYR . . . -75.21 94.05 0.9 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 168.53 44.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.573 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.75 -179.75 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -110.66 18.28 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.38 165.54 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.32 -34.68 31.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -70.96 112.14 6.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -112.86 82.77 5.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.13 161.84 44.49 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.545 2.163 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -156.96 132.68 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.82 110.65 4.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -92.24 138.58 14.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 30.4 mt -141.68 136.93 31.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.62 129.78 9.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.396 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 24.6 m -148.74 130.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.61 117.85 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -128.92 106.97 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.29 -59.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.06 -175.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.05 -178.57 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.81 31.29 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.55 157.97 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -102.88 -58.49 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.72 -37.05 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -28.45 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.11 82.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m 62.08 116.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -119.59 57.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.38 -21.12 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt 61.58 33.46 18.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -104.52 113.33 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.42 140.1 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.11 -29.91 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.13 165.92 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.93 43.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.62 118.03 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.4 ttt -117.64 145.95 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 -51.96 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.89 -179.16 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -100.29 133.84 44.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.775 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.96 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.0 106.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -148.89 121.58 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.98 -174.2 42.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.44 -43.92 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.62 -172.47 3.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.84 165.17 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -142.97 154.43 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.1 119.57 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.14 134.42 11.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.18 102.6 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.81 142.65 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.46 150.83 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 mtt -77.2 128.87 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.98 -26.94 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 69.38 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.07 -45.67 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.15 31.16 3.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.75 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 205' ' ' TYR . . . 64.16 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.74 153.77 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 5.7 t80 -128.11 143.5 51.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.75 157.13 44.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.245 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.27 172.04 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.695 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.61 138.03 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.14 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.6 m -144.66 131.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -140.28 137.76 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.37 -51.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -160.2 144.74 14.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.33 -48.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.42 -173.16 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.8 t -102.73 123.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.12 -47.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.51 84.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.26 130.66 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 4.8 tt -111.74 125.78 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.47 117.42 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -104.52 -142.88 11.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.7 87.2 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 18.7 t -103.7 -67.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -174.66 147.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 mp -100.51 127.19 46.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 78.38 -157.02 43.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 23.6 m -84.52 162.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.59 119.11 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 173.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.7 t -79.04 146.12 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -114.2 130.21 56.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 17.5 m -134.62 -46.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.38 -47.52 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.5 p -103.99 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -65.09 -33.33 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.2 m -151.36 157.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.05 113.81 48.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.751 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 87.87 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.354 2.036 . . . . 0.0 112.278 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -105.06 100.8 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.07 135.17 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.37 126.15 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 32.5 mmm -114.57 115.59 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.7 mp -141.8 145.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.44 -162.8 28.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.64 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.416 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 8.7 p90 -148.08 175.18 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 0.0 110.731 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.02 -165.37 15.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.778 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . 0.453 ' HA ' ' HB3' ' A' ' 160' ' ' ALA . 0.7 OUTLIER -141.68 131.05 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.794 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.11 131.63 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -105.34 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.0 155.13 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.886 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -118.36 150.63 39.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -137.63 140.93 41.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 128.61 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.62 15.54 26.78 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.766 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 155.76 39.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 146.68 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -144.11 145.34 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 207' ' ' PHE . 0.1 OUTLIER -113.6 123.19 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.66 167.94 19.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.03 146.89 9.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.99 -158.45 8.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.589 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -134.66 160.98 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.38 142.64 32.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -98.5 130.59 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.0 t 63.58 159.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -176.88 -61.94 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 56.7 Cg_endo -70.6 84.26 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.486 2.124 . . . . 0.0 112.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.76 33.72 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -86.74 -50.64 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.65 136.98 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 t -170.34 178.14 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.6 t 60.53 157.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -172.27 107.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.1 mt -126.92 43.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -138.55 162.1 35.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 88.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.99 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.65 67.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.08 166.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -111.58 49.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 96.37 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -113.52 139.46 48.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.18 -139.86 4.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 t 42.82 83.53 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 111.53 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 61.3 88.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 -36.42 51.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -75.76 124.63 27.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.24 31.09 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 85.77 7.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -88.58 -35.18 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.18 90.28 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.23 136.47 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.54 105.53 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.47 133.97 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.775 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.62 116.01 5.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.688 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.63 127.47 53.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.578 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -133.02 137.49 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.322 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -122.03 112.43 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.425 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.75 129.97 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 111.187 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -110.46 100.87 9.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.35 122.33 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -134.04 97.24 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.91 -175.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.228 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.43 33.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.78 0.324 . . . . 0.0 110.474 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -150.42 -37.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.725 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -97.87 150.36 21.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.046 0.45 . . . . 0.0 111.517 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.03 109.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 p -100.69 151.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -138.57 148.51 44.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -129.38 122.47 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.9 152.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.281 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -158.39 124.63 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.57 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.8 p -85.33 148.86 50.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.02 175.77 9.34 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -89.67 125.67 35.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.85 114.18 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -140.63 164.73 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.36 136.34 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -162.97 148.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.33 132.77 54.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -96.93 -30.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.91 113.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.82 -42.86 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 tp -97.47 155.8 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.13 -176.94 43.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 144.2 39.49 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.582 2.188 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.64 -156.26 10.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.7 mt -90.4 -53.3 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -164.03 -177.57 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.77 171.52 12.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -157.81 118.99 3.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.71 -51.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.88 112.57 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -102.2 151.66 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.95 179.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.45 156.44 48.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.65 114.15 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.33 110.27 2.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.74 138.85 82.6 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.401 2.067 . . . . 0.0 112.163 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 144.34 61.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.465 2.11 . . . . 0.0 112.275 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.46 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.37 146.26 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.32 122.88 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 tt -89.45 148.42 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -140.73 158.08 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.434 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 43.2 p90 -145.29 127.11 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.441 ' HA ' ' CG ' ' A' ' 111' ' ' TYR . 7.4 p90 -132.19 73.43 77.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.418 ' HD2' ' CE1' ' A' ' 111' ' ' TYR . 53.1 Cg_exo -55.04 -48.17 22.54 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.561 2.174 . . . . 0.0 112.418 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -27.56 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.92 94.65 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.19 57.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.572 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.63 -172.61 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -92.94 18.21 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -73.37 176.34 6.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB1' ' CE2' ' A' ' 154' ' ' TYR . . . -90.98 -64.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -92.47 141.82 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -131.62 90.53 36.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 58.8 Cg_endo -71.74 127.66 13.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.569 2.179 . . . . 0.0 112.261 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.441 ' CG ' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -177.45 -164.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.95 -168.21 25.73 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.434 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -155.44 -118.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.752 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -134.03 172.99 12.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 110.976 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -131.87 -160.95 9.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.3 p -104.06 153.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -106.89 153.28 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -77.6 179.75 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.1 p 57.97 106.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -160.68 123.36 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.36 111.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 144.2 39.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.92 150.74 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -102.96 -32.36 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.32 -33.74 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.1 mp -79.94 -28.37 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.09 -30.67 64.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -179.72 7.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.64 164.56 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -175.05 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -31.84 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.37 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -132.01 114.33 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -79.39 118.15 4.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.65 -31.71 22.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -67.04 -176.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 32.9 t -105.78 149.0 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mtt -134.7 131.29 37.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -117.26 179.4 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.46 166.4 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -160.49 95.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 60.41 76.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.8 -72.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -82.38 111.66 18.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -75.25 146.98 35.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.54 103.59 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.33 106.26 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.23 136.94 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 119.54 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.8 tp -123.23 153.9 39.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -170.21 -152.04 7.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 82.8 m-85 -134.68 129.44 34.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.79 125.01 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.416 ' CE2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -99.48 106.4 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.7 mmt -102.85 103.79 13.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.3 mt -111.74 -17.07 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.163 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 67.11 -75.86 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -29.48 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -100.52 28.19 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 66.27 -170.46 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.42 139.22 31.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.404 . . . . 0.0 111.075 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.15 130.55 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -104.62 126.73 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.056 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.9 ttm -133.57 132.52 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.01 150.33 35.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.37 138.22 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.1 p-90 -118.02 -36.26 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -76.36 124.49 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -161.53 148.95 14.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -157.7 98.33 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -173.45 63.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.89 -45.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -66.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.51 -49.03 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 61.08 178.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 33.0 pt -91.8 136.71 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.03 142.94 39.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -113.4 65.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 -27.98 24.92 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.561 2.174 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 5.4 t -124.01 41.2 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -67.95 163.63 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.87 158.97 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 112.93 126.36 4.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.07 30.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.13 107.93 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -125.28 130.83 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 33.6 p -114.46 -33.86 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 48.69 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 2.8 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 60.84 71.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.0 p -160.04 -44.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -93.18 47.54 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.76 125.86 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.45 123.69 35.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.2 82.46 1.58 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.45 2.1 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -69.0 128.74 37.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.78 125.37 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -135.2 156.84 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 5.7 mmm -111.25 133.1 53.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -139.96 138.81 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.68 178.58 44.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.614 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -139.82 164.73 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -166.68 -154.4 8.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.627 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -151.6 159.72 43.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -94.44 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . 0.405 ' CD1' HD13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -90.92 120.36 31.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.8 mt -137.32 119.31 15.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.937 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.79 136.38 40.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.62 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 138.95 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.89 15.52 39.14 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.712 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.19 144.0 34.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 137.35 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -141.83 141.23 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG22 ' CE1' ' A' ' 49' ' ' PHE . 6.9 pt -139.85 129.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 161.15 43.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.39 153.71 25.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.723 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -134.98 161.95 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.34 151.77 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 t -142.29 155.76 45.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.62 80.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 2.0 m-20 -71.9 -60.71 2.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 57.0 Cg_endo -70.84 136.73 30.8 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.532 2.155 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.57 -67.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.83 -38.37 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m 60.16 87.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 p -68.28 132.42 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.56 88.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.7 149.27 27.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.6 mt -75.34 139.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm 61.16 174.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.771 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tt -85.24 85.12 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.4 104.99 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.79 120.51 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.16 119.92 21.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.82 159.69 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -101.46 149.67 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -98.1 152.54 19.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.13 -62.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.3 m -163.72 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.65 147.33 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.99 -75.57 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.45 83.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.63 -28.06 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.36 76.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.1 t -80.19 -46.3 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.37 168.22 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.7 p -126.53 130.22 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.21 103.71 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.59 119.41 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.9 124.34 7.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.664 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 127.49 41.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.2 p -130.14 139.14 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -110.13 104.58 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.468 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.9 m -96.62 138.11 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -122.73 108.14 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.67 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.29 128.48 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 10.7 t80 -138.0 97.38 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.153 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.21 -177.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.187 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -92.63 31.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -150.51 -36.6 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.766 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -102.38 162.46 12.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.07 143.78 5.48 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.146 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 t -100.73 151.11 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.69 124.35 12.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.77 150.43 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.94 135.12 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.39 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.53 163.72 28.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t -130.89 79.33 71.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.79 -28.32 37.91 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.39 158.88 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -176.34 -40.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.64 -65.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.44 160.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -104.46 -38.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -92.25 131.22 37.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -106.9 -37.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -133.64 128.91 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.42 102.23 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.16 137.4 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.96 -103.75 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.17 168.77 23.88 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.472 2.115 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.26 170.47 44.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.365 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 127.39 32.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -151.39 -60.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.05 -78.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.83 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.9 mt -110.02 164.68 12.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.8 -68.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.07 104.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 tt -117.08 116.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.77 176.13 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.8 155.52 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.9 123.28 37.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.12 129.17 12.88 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.437 2.091 . . . . 0.0 112.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.65 163.0 39.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.513 2.142 . . . . 0.0 112.239 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.3 125.65 29.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.07 145.35 38.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mp -146.61 135.72 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.95 133.2 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.03 134.06 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.993 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -148.73 134.56 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -138.68 88.82 13.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.74 -50.54 12.23 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.61 2.206 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 33.33 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.03 110.96 4.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.8 57.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.26 179.59 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.63 -8.43 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m -57.56 147.6 26.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -81.96 124.22 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.79 111.89 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.764 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.79 150.57 78.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.381 2.054 . . . . 0.0 112.213 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -129.24 131.89 47.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.16 136.05 13.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.91 127.77 5.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.579 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 138.25 52.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -85.77 132.35 11.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.9 135.14 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.08 139.53 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -161.98 175.34 11.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.8 m -129.46 141.64 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.5 m -77.34 -43.54 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -109.51 159.44 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -149.88 103.73 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -146.81 134.44 21.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 -31.34 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.52 -56.35 12.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mp -60.12 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.05 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.1 t -64.88 127.94 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -162.59 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -91.98 -70.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -142.76 140.4 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -155.66 -65.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.68 107.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -127.08 -147.51 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -95.35 -64.74 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -162.3 145.78 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 -36.83 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.1 tpt 67.61 -69.88 0.13 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -74.05 98.82 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.77 -59.54 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.01 103.05 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.24 33.38 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.4 p -123.23 100.59 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -97.59 124.63 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.64 91.93 1.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mp -82.34 139.03 34.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -169.66 136.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.86 159.53 19.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -166.94 151.68 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.023 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mp -113.82 147.65 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.49 124.1 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.632 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -104.87 102.99 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.12 139.97 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -128.38 124.16 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.6 mtt -93.65 110.17 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mp -110.52 -24.3 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.77 -74.72 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.42 -27.35 68.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 32.79 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.13 -157.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.6 145.91 43.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.01 120.47 40.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.37 121.6 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.2 ttt -110.98 161.63 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.87 145.97 30.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.032 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 12.5 p -153.11 128.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.419 ' CE3' ' HB2' ' A' ' 196' ' ' PRO . 0.0 OUTLIER -100.73 134.12 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -163.75 38.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.3 ttt -125.53 81.78 2.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -129.79 128.59 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 19.1 pt -98.44 31.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -137.93 89.26 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.38 -45.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.44 -25.65 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.01 114.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.72 88.87 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 19.6 tt -130.34 130.34 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -76.45 154.44 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 61.54 91.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.22 -28.09 28.26 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.78 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -124.4 165.31 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.39 -30.95 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 169.89 43.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.426 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.8 m -106.1 -31.7 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.86 7.56 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.65 167.25 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.8 0.334 . . . . 0.0 110.979 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.0 p -126.4 168.97 13.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -152.15 158.71 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.33 30.56 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -83.19 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 14.1 p -166.03 38.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -146.1 65.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.14 -66.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.8 137.37 26.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.419 ' HB2' ' CE3' ' A' ' 167' ' ' TRP . 97.2 Cg_endo -79.77 78.49 3.68 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.56 2.174 . . . . 0.0 112.471 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 27.8 p-90 -140.93 38.47 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.94 141.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -106.45 170.96 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 11.4 ttm -137.99 136.45 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 38.2 pt -143.73 140.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.74 -162.67 27.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -148.45 158.18 43.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.26 -177.5 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.401 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -131.47 147.59 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.59 119.85 34.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.34 135.28 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 7.7 mt -139.88 131.33 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.882 0.372 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.12 134.1 44.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -136.74 -177.76 4.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.8 140.69 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.47 15.36 62.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.679 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.99 143.05 37.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.728 0.299 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -104.33 117.1 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.9 mm -128.18 139.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 HG12 ' CE1' ' A' ' 49' ' ' PHE . 21.7 mt -124.4 127.93 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -138.33 140.89 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.47 154.31 25.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.65 -162.63 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -144.25 161.88 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.76 145.79 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.53 133.29 36.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.52 150.62 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.36 117.23 52.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 -175.9 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.417 2.078 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 -73.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -89.38 -51.09 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -166.1 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -148.77 80.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 p -72.54 144.91 47.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.09 114.74 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mt 63.97 125.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -101.98 -67.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.46 155.81 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.08 33.88 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.96 165.53 28.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.54 159.51 35.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 60.4 74.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -138.69 171.2 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -113.13 31.03 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.67 56.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.577 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p -148.15 175.48 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -115.24 -63.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 79.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.2 p -103.86 -54.32 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.7 -26.39 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.262 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -108.77 -32.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.42 -77.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.4 p -65.16 137.47 57.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -125.3 129.89 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.57 106.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.4 114.25 4.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.689 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.75 139.83 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.664 0.269 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 m -141.54 140.4 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.436 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' CE1' HG12 ' A' ' 9' ' ' ILE . 32.8 m-85 -117.49 105.71 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.398 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.07 31.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 111.317 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.54 101.67 7.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.423 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 126.38 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.407 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -137.99 97.27 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.995 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.13 -172.98 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.202 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -94.91 29.09 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.831 0.348 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -150.47 -36.5 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.699 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -91.48 146.46 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.032 0.444 . . . . 0.0 111.42 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.43 117.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.16 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.78 132.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.54 143.04 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.49 137.52 54.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.9 m -105.6 141.8 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.46 139.13 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.01 155.65 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.6 m -104.36 118.68 56.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 -61.71 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.463 2.109 . . . . 0.0 112.365 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -135.23 -72.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.24 179.66 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -153.96 32.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -89.11 84.07 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 m 41.14 86.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.831 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -130.05 145.89 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.3 t 79.11 -55.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.272 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -106.5 132.55 52.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.51 45.16 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.0 mt 60.32 91.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.1 -159.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.576 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.37 -27.88 27.81 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.634 2.223 . . . . 0.0 112.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -97.22 -169.93 33.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.39 -38.73 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.1 144.24 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.86 -118.5 4.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 -46.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.752 0.31 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -177.47 -62.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.41 -175.93 3.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.51 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 pp -138.83 30.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -147.06 96.89 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.775 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -150.34 121.83 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.029 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.73 130.23 53.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.22 128.36 29.35 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.445 2.096 . . . . 0.0 112.112 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.47 148.16 18.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.528 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 31.2 m -112.16 130.53 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.62 139.85 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mp -135.91 126.5 27.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.88 132.32 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 131.44 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.979 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -126.8 150.2 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.414 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 43.1 m-85 -119.48 79.95 21.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.81 -50.79 2.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.637 2.225 . . . . 0.0 112.144 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 30.64 6.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.91 138.86 14.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.44 49.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.08 -176.2 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -95.72 18.27 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -89.9 155.34 19.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.74 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.31 121.14 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.07 89.24 6.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.42 163.18 38.99 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.414 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 37.4 p90 -171.94 159.39 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.23 165.41 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.392 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -149.68 155.97 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.623 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.95 146.95 47.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.09 131.2 10.54 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.38 150.69 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -155.99 121.97 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.98 158.95 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.8 170.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.17 37.19 20.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 60.86 156.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -172.25 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.79 137.4 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.51 -19.56 49.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -44.86 84.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -57.92 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.57 -29.32 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.8 p 59.66 164.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.5 114.28 20.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.04 145.41 41.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -137.77 94.73 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.82 157.26 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.77 -64.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -114.12 71.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -168.77 122.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -143.34 118.29 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.1 t -75.68 112.82 12.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 105.82 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.04 74.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -131.93 164.83 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.71 -67.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.55 -58.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.42 117.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -150.99 113.75 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -100.39 -59.56 0.84 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.0 -177.55 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -97.12 -168.46 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.22 141.63 15.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 144.18 43.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.43 134.48 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -174.17 -145.89 5.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -165.71 163.97 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -124.64 146.11 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.417 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 7.6 t80 -100.69 125.95 47.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.99 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.417 ' HG ' ' CE2' ' A' ' 154' ' ' TYR . 8.4 mt -109.4 -25.25 10.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 69.19 -67.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.27 -30.53 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -110.5 29.72 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.92 -166.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.161 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.1 mp -122.26 130.69 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -99.05 116.21 30.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.1 147.1 23.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.73 133.27 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -136.8 137.55 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.73 156.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -100.27 151.32 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.7 152.18 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -177.34 6.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -134.59 -47.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.4 pt -84.32 179.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -168.18 79.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m 60.41 96.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 60.67 82.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.88 88.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 49.8 m -60.16 170.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 21.2 mt -75.8 94.17 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.22 140.1 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -123.95 -95.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.83 179.06 5.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.454 2.103 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.72 -47.04 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 59.71 -178.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.6 mp -58.1 125.49 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -106.35 45.03 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.65 137.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.88 87.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -62.59 141.39 58.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 81.8 p -83.62 123.9 30.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -88.87 97.07 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.4 -30.81 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.265 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.9 45.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.24 -30.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -110.55 32.0 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.17 91.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.02 148.94 97.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.49 173.11 12.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.544 2.163 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -127.94 -178.84 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.01 159.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.39 129.84 55.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.801 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.32 126.21 55.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 pt -149.9 145.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.37 -169.44 38.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -128.78 176.22 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.12 -177.81 35.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.6 154.58 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -86.79 134.27 33.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . 0.411 ' CG ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -104.78 129.07 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.04 131.65 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.847 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.897 0.379 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -86.17 130.0 34.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -139.76 154.98 47.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.85 126.26 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.85 15.5 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.733 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.57 135.02 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.47 136.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.4 mt -146.38 139.87 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.8 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.24 133.99 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.67 155.04 23.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.332 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.29 140.62 15.94 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.614 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.26 121.0 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.9 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -126.18 144.09 50.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.7 m -151.73 126.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.98 107.21 16.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.14 -44.25 3.91 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.42 2.08 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.18 164.62 12.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.92 -31.93 31.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t 60.53 159.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.53 164.77 29.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -94.31 101.59 13.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -113.41 -50.92 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 tp -69.26 144.27 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -91.63 105.55 17.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -28.76 17.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 60.96 104.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.23 142.04 3.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.42 -62.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 64.03 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -134.74 173.43 11.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.46 73.89 0.41 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.7 109.42 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.56 -35.0 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 57.21 30.39 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.268 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 77.1 p -73.71 102.32 3.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.6 t -127.86 -46.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.6 157.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -30.77 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.47 53.19 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 p -81.42 161.61 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -131.84 109.58 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 124.41 27.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.06 133.23 10.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.78 141.47 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.493 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 m -138.34 132.38 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.24 109.89 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.269 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.61 130.02 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.297 -179.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -114.28 100.86 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtt -61.06 131.01 49.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -137.0 97.3 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.005 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.8 -174.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.162 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -95.07 31.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.828 0.346 . . . . 0.0 110.564 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -150.43 -34.75 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.917 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -100.35 148.33 24.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.077 0.465 . . . . 0.0 111.708 -179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.06 112.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.07 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.6 142.27 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.332 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -147.05 138.72 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 pp -106.4 134.83 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.39 155.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.259 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.86 119.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.09 162.73 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -88.97 127.57 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.93 179.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.414 2.076 . . . . 0.0 112.226 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -143.93 31.42 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.03 164.29 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -76.42 -38.23 55.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 62.8 -79.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -154.43 68.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.77 36.8 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.98 -36.53 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -70.12 85.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.54 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.42 129.17 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.3 106.88 0.93 Allowed Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.83 105.6 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.78 44.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.44 -55.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 59.94 62.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.7 135.83 2.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.31 155.85 19.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -139.15 162.56 34.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.97 43.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.59 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 pt -157.5 151.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.14 147.35 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.95 104.01 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.84 145.46 30.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.43 128.54 15.55 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.513 2.142 . . . . 0.0 112.236 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.37 165.12 31.41 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.422 2.081 . . . . 0.0 112.413 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 t -133.2 135.81 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 mp -96.71 151.88 19.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.73 114.22 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.787 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mt -80.33 139.28 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -131.44 140.48 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -139.74 149.83 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -104.73 89.33 2.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.99 -45.03 2.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.554 2.169 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ttt -126.07 32.37 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.1 113.35 4.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -127.89 -170.85 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.1 18.28 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -84.2 154.11 23.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.72 -52.48 25.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -84.71 140.94 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -132.51 96.65 18.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 137.14 33.57 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.47 2.113 . . . . 0.0 112.222 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -123.78 158.09 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.62 136.26 6.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.36 -157.25 7.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.55 139.02 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.58 168.67 15.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -145.08 135.8 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.069 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -145.72 150.74 36.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -158.68 113.3 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 m -121.14 156.78 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.2 m -85.82 -58.86 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -49.76 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.59 150.84 39.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t0 60.7 78.16 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.6 -28.94 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.56 -30.83 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.32 -38.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.5 t 68.38 -68.56 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -159.98 130.61 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -87.43 176.87 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -155.62 89.26 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 60.41 36.27 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.03 135.42 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -148.46 -126.7 1.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.76 30.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 p -111.92 -70.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.11 132.15 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 158.99 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.89 -177.9 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.66 161.58 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -115.31 112.69 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -99.49 31.82 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.5 m -101.79 34.79 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.95 126.23 29.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -117.9 154.53 16.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 tp -123.71 105.41 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -150.2 105.01 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.74 31.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -134.02 119.51 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 9.8 mp -122.38 146.75 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.61 -175.98 35.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.19 161.16 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -119.76 136.69 54.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -141.2 100.94 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 130.23 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 mp -111.73 -12.63 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.33 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 64.4 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.99 -30.15 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -109.09 33.75 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.411 ' HA ' ' CD1' ' A' ' 205' ' ' TYR . . . 63.91 -170.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.85 128.27 55.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' ' 203' ' ' PHE . 8.9 m-85 -114.57 126.79 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -133.99 141.49 47.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.4 ptm -104.23 157.02 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -142.81 134.64 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.1 p -157.93 158.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -124.8 84.28 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.86 88.43 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 7.9 mtt -111.86 145.83 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.85 30.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.1 mm -88.83 138.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 105.23 11.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 -66.82 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.99 37.26 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 66.81 -73.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.3 t 60.74 32.39 20.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.6 tt -153.06 138.25 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -82.16 141.72 32.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 77.68 144.67 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 100.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.572 2.181 . . . . 0.0 112.214 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.4 t 77.42 -54.39 0.54 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 72.07 40.32 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.959 0.409 . . . . 0.0 110.917 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 116.57 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -109.71 -41.01 1.38 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.8 126.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.63 113.48 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.45 97.16 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 6.0 t -162.58 31.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -98.98 -37.38 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.17 113.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.95 -54.1 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.58 69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.3 t70 61.57 18.67 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.4 t 51.57 97.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.37 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -97.86 143.81 26.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.11 127.17 11.8 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.569 2.179 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -82.15 -178.81 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 26.9 m -82.21 131.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -146.52 149.89 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.11 114.86 29.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.99 142.64 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.44 -168.74 18.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.422 ' HB3' ' CD2' ' A' ' 162' ' ' PHE . 28.9 p90 -161.88 166.94 25.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 175.99 -165.85 36.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 160' ' ' ALA . 0.6 OUTLIER -146.82 153.21 39.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.793 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -86.87 128.23 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.06 137.83 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.47 150.41 49.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -152.63 126.97 9.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 161.34 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.426 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -62.17 124.15 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.3 15.37 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.39 131.99 52.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' CE2' ' A' ' 51' ' ' TYR . 96.1 m-85 -96.87 125.21 41.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.43 146.3 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 pt -116.75 138.4 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -140.79 136.1 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.53 149.63 19.88 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.85 -165.5 26.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -131.65 159.81 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.9 126.07 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 t -73.45 149.15 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.65 158.99 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -102.3 98.27 10.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.05 60.04 5.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.54 2.16 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.01 -47.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.36 -31.18 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 t -79.06 74.53 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -155.48 -46.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -122.01 95.0 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.47 75.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.47 -179.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 39.85 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.0 105.07 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.954 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.26 159.9 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.45 -111.1 3.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.9 92.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -141.06 -47.68 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -69.18 149.94 48.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.92 168.11 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.26 173.58 23.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -100.14 32.03 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 125.12 34.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.36 -51.84 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m 60.13 159.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.02 -47.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.36 89.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 m -88.01 -58.67 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -97.64 126.58 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -116.4 144.96 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -157.51 125.93 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.47 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -99.41 99.95 2.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.4 tt -106.32 129.27 54.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -138.45 132.96 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.53 110.37 20.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.7 p -96.99 132.85 42.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CE2' ' CE2' ' A' ' 7' ' ' PHE . 7.4 m-85 -115.53 102.57 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.59 129.78 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 21.1 t80 -138.1 97.32 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.59 -179.52 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.34 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.72 33.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 -36.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.617 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -100.02 145.09 28.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.45 110.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.6 m -101.1 145.93 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.79 133.33 46.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.8 mp -100.79 150.5 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.04 145.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.23 161.02 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.92 152.57 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.8 p -140.12 85.75 13.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.36 95.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.564 2.176 . . . . 0.0 112.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.92 126.02 53.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -129.15 -46.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -76.58 103.65 6.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -129.89 135.1 47.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.52 99.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.11 -73.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 m -146.45 32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.81 101.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.0 -80.77 0.52 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.12 93.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.84 143.43 7.62 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.67 -177.4 3.36 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.58 69.89 0.76 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.8 mp -80.79 -178.02 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -151.0 140.82 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.1 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.74 100.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.19 86.51 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.03 134.59 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -98.12 37.24 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.82 147.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -132.18 162.67 30.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.94 168.01 18.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.75 148.81 74.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -51.52 152.79 11.67 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.304 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 135.09 26.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -118.13 114.27 22.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -105.67 153.83 21.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.24 133.6 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 tp -80.97 148.0 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -146.28 134.32 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -118.5 128.95 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.95 110.89 4.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.5 -51.01 6.94 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.483 2.122 . . . . 0.0 112.179 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 mtm -114.2 31.15 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.18 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.12 45.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.558 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 p -137.85 171.36 14.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -95.24 18.29 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 t -76.52 158.8 30.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.94 25.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 128.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -113.4 74.57 2.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.98 163.17 35.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.6 2.2 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.26 143.77 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.86 165.8 28.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.566 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.16 -151.17 19.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.549 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.65 167.64 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -155.76 -151.44 5.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m -121.82 146.06 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -131.34 151.07 51.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.64 143.88 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 19.2 m -133.89 137.89 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.86 94.52 4.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -101.69 -32.5 10.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.23 116.71 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -98.76 31.41 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -101.81 -31.69 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -46.36 57.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -41.1 99.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.49 -32.29 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.2 t -90.96 171.73 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.56 87.81 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -163.97 150.73 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -135.5 162.38 32.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 166.32 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -113.38 -44.99 3.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.52 -102.36 0.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.588 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -98.09 37.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -126.42 -45.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.6 t -74.15 127.59 33.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.9 mmt -79.3 146.89 32.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -135.56 115.6 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.24 -34.18 77.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -116.67 168.84 9.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.403 ' HB2' ' CE3' ' A' ' 144' ' ' TRP . 3.0 m-20 -116.11 18.88 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 m 52.46 29.95 7.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.784 0.325 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . 0.403 ' CE3' ' HB2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -71.14 128.9 37.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.948 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -164.23 109.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.14 122.58 31.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.52 100.78 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -69.16 157.1 53.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.548 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -147.1 140.19 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.91 125.13 30.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.7 152.46 20.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.53 102.87 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.33 133.55 34.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -142.66 122.28 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 43.5 ttp -78.56 128.87 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -36.04 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.99 -4.57 2.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.691 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.98 -47.42 9.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -138.83 -32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -173.58 -155.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.9 mp -116.44 132.47 56.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.414 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 0.2 OUTLIER -95.57 136.76 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -135.13 141.89 46.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.67 162.3 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.59 112.23 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.2 p -129.23 142.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -74.51 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.22 99.49 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -110.82 34.65 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.92 -31.57 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.16 119.17 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -171.01 83.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 26.1 m -118.13 115.9 25.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -118.82 31.46 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -137.99 114.23 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 -45.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.73 93.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -68.12 127.7 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 147.53 -82.84 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.31 165.01 1.09 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 53.5 m -148.34 -62.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.16 20.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.1 85.99 5.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -161.17 -145.38 4.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.1 m -80.41 87.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -74.91 117.23 16.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.817 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -69.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 2.1 t -145.49 83.35 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -152.57 -57.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 13.3 p -142.93 45.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -83.0 -65.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.8 -14.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -83.67 57.0 3.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 9.9 p -153.01 109.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.14 121.19 84.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.63 139.36 33.89 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.402 2.068 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -132.2 174.08 10.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.5 m -153.36 160.14 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -129.33 139.49 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 1.2 ttt -124.02 142.69 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.92 120.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.71 -172.73 26.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 50.0 p90 -137.62 162.56 33.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.07 154.57 25.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -127.2 155.97 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -86.76 139.33 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.84 130.79 44.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -76.87 153.43 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.854 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.849 0.357 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -112.19 109.42 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.23 159.84 38.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.12 129.82 41.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.17 15.41 23.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.733 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.55 169.56 10.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 0.0 110.79 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.41 123.45 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 pt -135.47 120.83 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.002 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 pt -95.11 151.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -146.18 158.8 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.85 168.38 13.02 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.0 137.28 9.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.01 119.0 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.77 151.76 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 126.83 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.35 18.87 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.63 80.97 0.27 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 -28.06 26.47 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.469 2.113 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.36 143.87 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -93.48 -40.44 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -111.63 167.6 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.31 73.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -121.65 -1.3 9.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 60.96 31.51 19.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 pt -150.22 100.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -36.71 43.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 179.56 78.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.69 126.55 11.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.21 -54.81 4.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.549 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.93 -59.46 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.73 145.37 31.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.63 119.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -139.82 -48.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.48 78.76 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 p -75.37 148.83 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -136.31 -68.43 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.23 -67.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -159.67 -73.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -114.56 -36.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 32.95 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -39.46 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.4 113.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.93 161.18 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -115.58 129.45 56.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.5 122.04 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.7 118.27 6.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.704 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 pp -113.05 131.15 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.719 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.7 m -137.05 132.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.212 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -121.23 104.64 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.7 m -97.69 146.01 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.368 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.64 115.61 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.4 mtp -67.86 124.56 23.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -136.27 97.21 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.995 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.94 -173.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.23 30.77 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.78 0.324 . . . . 0.0 110.512 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -35.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -96.41 138.77 33.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.104 0.478 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 108.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.063 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.71 141.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.0 151.51 37.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.63 123.52 43.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.88 141.51 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.255 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.4 126.75 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.03 163.7 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.4 m -91.6 111.4 49.09 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.64 177.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.387 2.058 . . . . 0.0 112.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -81.4 175.53 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -154.52 90.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -138.05 86.72 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.34 157.36 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.0 m -129.07 107.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.66 -169.4 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.7 t -97.94 37.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -135.81 104.97 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.36 -49.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.541 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt -135.17 155.4 50.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.32 177.72 49.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 127.44 14.36 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.52 2.146 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.26 -171.54 24.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.24 154.8 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.82 103.95 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.8 -67.53 0.63 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -76.38 144.35 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.9 99.76 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.58 126.51 30.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.39 158.91 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.81 141.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 107.72 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 98.42 10.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.01 128.65 80.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.84 166.56 1.38 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.414 2.076 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.87 158.28 57.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.315 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -72.22 134.96 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 tt -112.33 136.56 51.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.22 168.53 19.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pp -130.28 134.43 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.81 152.02 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -133.23 127.03 32.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.829 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.487 ' CG ' ' CE2' ' A' ' 111' ' ' TYR . 3.8 p90 -135.58 79.52 47.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 -32.06 12.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.525 2.15 . . . . 0.0 112.369 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 tpp -104.16 31.87 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.83 98.15 2.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.3 t -103.86 -178.39 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.63 18.34 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.63 159.75 14.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.14 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -73.88 112.25 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.76 81.68 5.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.24 134.62 25.27 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.542 2.161 . . . . 0.0 112.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.487 ' CE2' ' CG ' ' A' ' 99' ' ' TYR . 9.5 m-85 -131.1 130.79 43.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.66 139.23 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.54 126.76 6.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.01 129.39 21.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.1 149.55 20.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.1 p -107.99 136.22 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -155.3 139.57 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 122.84 45.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.5 t -173.96 129.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.6 p -79.68 134.92 36.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.71 163.6 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.88 31.53 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -135.17 31.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.81 -31.49 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -30.9 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.37 -44.1 92.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.07 -47.56 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.7 p 58.33 177.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -135.34 90.89 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 60.7 23.88 13.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt 54.7 30.43 13.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -158.21 123.27 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 59.46 97.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -147.26 71.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -111.28 -74.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -72.2 -51.13 22.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.5 m 60.31 94.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.79 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.21 156.5 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.36 87.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.9 153.47 24.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -149.67 -47.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.2 m -166.92 171.67 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -151.9 147.09 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.26 170.09 17.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.467 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.1 pp -149.46 84.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.95 109.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -102.0 140.24 14.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -158.8 152.4 23.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 117.21 33.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.23 116.78 5.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.56 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.36 122.76 44.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.775 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -109.52 142.07 41.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.64 113.36 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 13.9 ttt -85.65 118.47 25.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 159' ' ' HIS . 4.6 mt -111.73 -2.89 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 65.34 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.774 0.321 . . . . 0.0 111.473 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -81.67 -29.68 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.455 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 156' ' ' LEU . 6.1 t-80 -96.63 33.82 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.222 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.418 ' HB1' ' CZ ' ' A' ' 205' ' ' TYR . . . 55.51 -158.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.038 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.67 145.49 43.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.2 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.83 123.31 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 135.37 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -131.65 118.07 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.24 144.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -161.17 97.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -68.16 140.32 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 13.9 ttm -129.7 151.4 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.32 -50.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.17 179.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -101.43 130.39 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.6 m -91.62 109.48 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.32 84.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.32 77.95 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.1 t -134.13 -47.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 16.7 tt -108.45 147.45 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -65.95 150.5 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -111.72 92.9 0.67 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.54 -36.79 61.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.589 2.193 . . . . 0.0 112.31 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.3 t -174.65 -61.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -135.69 178.0 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.37 124.36 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -82.34 177.75 53.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.9 -179.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -158.65 177.97 10.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -147.41 -60.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 23.9 p -73.67 -35.65 65.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -179.27 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 19.1 t 65.01 89.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.31 47.99 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 26.1 t 65.69 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.05 31.5 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.1 m -93.01 97.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -117.36 139.87 26.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.15 -173.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.459 2.106 . . . . 0.0 112.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -95.86 112.81 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 27.2 m -96.13 154.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.51 140.68 52.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.3 ttt -101.18 115.8 31.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.3 mt -134.86 139.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -150.32 -166.97 13.96 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.583 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -123.64 -179.18 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.31 143.98 11.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . 0.418 ' CZ ' ' HB1' ' A' ' 160' ' ' ALA . 1.9 m-85 -148.06 138.75 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.82 140.38 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.33 118.22 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.6 mt -109.09 119.36 39.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.933 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -74.5 97.38 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.3 146.95 51.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.98 130.33 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.26 15.45 35.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.646 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.15 152.14 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.812 0.339 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.49 131.51 56.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.1 mt -134.08 147.82 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -120.62 150.76 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.95 145.4 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.61 151.18 23.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.41 -142.18 3.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.53 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -133.13 148.5 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.83 133.47 45.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.41 HG22 ' CZ ' ' A' ' 199' ' ' TYR . 2.4 p -93.25 118.77 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.52 136.97 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -159.66 91.85 1.81 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.79 98.29 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.451 2.1 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t70 61.07 90.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.42 -51.44 20.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -106.43 119.51 39.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -104.25 -38.64 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.5 t -71.72 150.87 44.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -177.31 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.86 136.66 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -147.08 29.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt 58.87 94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -57.07 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.49 -165.34 27.15 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.603 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.53 39.52 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.307 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 104.9 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 62.4 118.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -145.11 -48.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.94 92.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 -47.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.96 142.79 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.76 67.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.53 153.43 19.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -139.37 61.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -108.93 97.04 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -93.14 -57.36 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.7 97.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.2 m -112.15 110.99 21.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -82.88 162.87 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.21 138.84 42.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.2 115.81 4.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.573 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.5 151.81 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -145.91 147.65 31.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.24 106.66 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.82 135.52 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.997 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -114.69 103.65 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 122.44 19.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 97.33 3.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.28 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.73 -175.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.51 35.85 1.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.868 0.366 . . . . 0.0 110.44 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -150.17 -37.2 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.517 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -97.27 141.76 29.98 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.878 0.37 . . . . 0.0 111.324 -179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.78 100.53 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.306 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.71 139.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.156 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -124.02 141.19 52.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -104.3 147.37 27.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 t -127.81 141.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.91 170.17 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.19 163.67 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 104.32 11.74 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.34 127.39 14.86 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.401 2.067 . . . . 0.0 112.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.77 87.37 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -96.67 172.0 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -87.96 170.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.48 90.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.05 81.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.97 99.36 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.99 -56.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -104.27 94.61 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.25 -57.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.15 137.2 38.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.59 139.0 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 -41.37 75.3 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.484 2.123 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.28 45.81 29.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.6 -47.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.15 -56.84 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.24 -167.24 33.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.14 142.83 30.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.43 34.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -128.13 100.32 5.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.4 pt -92.82 -30.6 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -95.88 137.17 35.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.45 152.46 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.91 135.94 90.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.29 128.28 8.82 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.364 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.5 165.11 23.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.496 2.131 . . . . 0.0 112.142 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 p -90.76 137.02 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 155.48 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.3 mt -135.0 124.74 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.14 129.05 34.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -122.93 153.41 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.6 138.45 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 99' ' ' TYR . 17.4 p90 -136.74 91.17 15.8 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.95 -28.11 13.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.51 2.14 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.69 -27.57 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.28 43.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.12 -170.78 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -93.6 18.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.311 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -73.82 151.74 40.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 -38.58 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -91.38 126.81 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -121.91 81.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 57.5 Cg_endo -71.1 159.44 52.26 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.369 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -172.83 173.39 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 162.96 162.53 13.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.95 -120.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.52 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -141.3 141.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.86 173.38 15.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.89 177.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.65 129.25 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -130.27 139.12 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.1 m -148.14 158.51 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.73 31.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -118.5 102.78 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.07 30.48 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.18 -29.17 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.8 62.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.17 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.67 68.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 66.6 m -94.72 94.05 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -172.3 77.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.3 -40.18 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -50.79 137.23 20.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -132.48 77.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.44 -47.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.19 -128.68 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.455 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.6 90.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.3 p -97.51 38.85 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -176.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.75 165.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -94.26 143.87 26.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.6 tp -110.55 -32.33 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.38 153.51 30.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.83 41.78 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.54 -57.24 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -103.9 175.91 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 115.12 -49.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.1 149.05 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.323 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -167.69 113.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.21 148.77 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.567 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 142.65 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.8 146.37 43.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -152.93 -179.49 28.51 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 18.3 m-85 -132.97 123.59 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -121.74 130.74 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 162' ' ' PHE . 17.5 p90 -150.75 148.35 28.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 38.2 mtt -74.54 133.11 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 15.8 mt -101.14 -10.58 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.328 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.5 m120 69.44 -67.07 0.23 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.31 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -39.74 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 32.03 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.79 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 167.07 22.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.061 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 163' ' ' ASN . 13.1 t80 -130.45 145.46 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . 0.447 ' N ' ' CD1' ' A' ' 162' ' ' PHE . 8.1 t30 -142.05 138.99 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 ttp -130.19 156.96 43.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.61 139.45 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.83 144.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.63 131.58 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.48 125.66 54.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 36.5 ttp -75.63 123.3 25.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.66 117.93 3.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 4.2 tt -177.46 -39.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.9 -54.75 3.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.4 p -111.52 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 31.31 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -175.11 147.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 54.3 m -162.3 127.18 3.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.91 128.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -82.71 125.83 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -161.06 92.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.38 141.86 52.73 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.29 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 22.7 t -109.3 -65.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -128.24 -62.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.12 173.05 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 146.37 138.16 3.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 9.6 m -88.71 93.99 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -125.7 -70.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -72.96 89.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 165.52 27.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -95.15 141.8 28.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.94 -66.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.86 -59.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 15.9 t 62.66 31.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -142.48 73.53 1.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 14.2 m -149.52 143.94 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.86 112.78 47.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.67 -178.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.063 . . . . 0.0 112.329 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -48.6 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.2 m -148.4 127.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.41 ' CZ ' HG22 ' A' ' 15' ' ' THR . 19.3 p90 -146.53 170.54 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 13.0 mtt -148.84 115.89 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.79 136.29 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -174.2 -164.08 28.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.7 164.99 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.64 -172.21 18.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.622 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -155.14 127.12 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -91.15 129.52 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -92.35 120.83 33.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.95 157.64 34.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.698 0.285 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.97 97.7 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -158.48 179.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 133.17 47.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.97 13.2 11.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.712 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.07 161.32 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.78 0.324 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -148.47 145.41 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -123.92 149.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.015 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.21 106.67 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.64 168.0 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.8 -130.84 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -142.15 149.7 40.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.46 145.62 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -106.38 125.61 51.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -136.27 152.11 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.56 82.5 0.22 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.41 -61.14 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.565 2.177 . . . . 0.0 112.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.01 166.88 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -106.41 -46.89 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.05 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m 60.61 31.63 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.29 129.78 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.24 84.71 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.2 tp -119.98 146.09 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 111.23 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -120.51 153.42 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -130.08 118.21 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.05 35.71 57.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.09 95.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.67 163.43 25.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.91 81.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 60.96 -176.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.12 -118.86 1.92 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.586 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 p -67.82 129.39 39.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.62 30.0 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.02 41.29 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p 55.88 175.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 m -115.16 -37.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 60.66 159.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.3 m -60.74 -41.98 96.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.94 31.18 19.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -133.22 121.2 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 135.26 54.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 117.1 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.759 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.62 138.97 23.9 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.597 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.96 138.81 44.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.707 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -143.53 134.5 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.048 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.07 125.96 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -106.33 139.21 41.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.43 100.88 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.516 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.59 120.08 16.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.413 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 t80 -137.96 97.1 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.114 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.65 -176.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.264 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.66 33.33 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.891 0.377 . . . . 0.0 110.401 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 -36.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 3.5 m0 -96.31 142.78 28.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.503 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.4 134.9 3.57 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.063 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 t -107.07 142.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.374 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -139.57 111.55 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.73 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.74 150.38 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.41 131.4 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -144.41 127.87 16.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.32 163.53 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -115.62 72.92 4.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.16 146.52 32.19 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.309 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.79 152.52 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.56 -70.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 109.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.3 159.62 14.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 p -167.75 -43.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.13 163.64 14.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.47 83.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.88 126.93 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.15 29.39 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.4 -34.53 65.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.28 91.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.57 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 -27.78 28.2 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.629 2.22 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.63 -174.64 23.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mp -95.52 125.29 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.58 175.47 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.88 49.99 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -69.67 -68.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.1 -31.21 9.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.69 179.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.03 -177.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.2 tp -174.71 115.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.43 -44.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -104.47 92.85 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.78 110.19 2.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.02 131.49 12.06 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.349 2.033 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.97 131.33 15.46 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.407 2.071 . . . . 0.0 112.29 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.48 126.16 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.46 134.41 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.01 129.82 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.57 138.08 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.71 118.41 36.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.56 148.8 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -122.25 77.78 43.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.13 -51.0 11.21 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.0 mmt -115.11 32.47 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.48 98.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.5 52.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -118.21 -177.65 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -96.98 18.26 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -82.43 144.1 30.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -58.1 10.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -76.69 144.67 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.09 88.42 26.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.69 173.21 8.29 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.777 2.318 . . . . 0.0 112.153 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 38.9 p90 -160.38 130.03 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.23 129.59 20.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.48 124.6 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 129.69 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.84 145.66 16.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.38 153.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -140.33 118.46 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.63 119.34 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p 56.26 103.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.1 m -123.58 32.51 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -135.21 84.7 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 68.49 -68.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.7 t70 60.7 19.85 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -103.07 -71.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -71.25 -38.68 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.11 -29.65 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.78 -30.64 65.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.6 m -69.88 105.52 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.05 106.66 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -48.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -96.53 89.94 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -154.28 114.7 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.71 -48.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.14 61.41 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.86 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.12 100.04 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.2 p -120.55 98.77 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.8 mtt -70.61 -63.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 tttt 60.6 26.35 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mp 55.58 -175.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.64 39.47 21.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -141.58 37.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.7 p -122.55 126.65 48.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -73.97 164.68 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.34 -175.96 14.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.06 167.86 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -157.3 113.06 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.45 117.86 4.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -134.3 144.79 48.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 132.31 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -126.87 166.49 19.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -136.77 114.32 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.08 121.81 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.781 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.85 111.02 12.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 9.2 mtm -102.76 135.0 45.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mp -103.27 -37.16 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 76.2 -1.17 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -85.98 -45.09 11.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.865 0.364 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.15 -32.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.392 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -175.57 -166.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.3 mt -119.98 132.54 55.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.17 138.96 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.32 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.6 mtt -105.29 151.04 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -148.56 133.0 17.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.66 161.11 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -58.59 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.31 167.53 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -164.23 104.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.36 99.71 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.6 pt -110.39 -29.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -120.32 171.51 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 62.6 m -92.94 -30.35 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.94 91.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.28 120.96 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 18.3 p -157.84 136.98 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.5 pt -91.66 151.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -69.03 115.4 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -151.65 75.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.24 121.84 8.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.63 2.22 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.3 m -163.85 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -138.9 -64.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.1 mp -72.0 -51.34 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 66.67 98.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 16.6 m -61.12 179.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -85.62 -177.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -150.15 151.11 32.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.58 92.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -31.59 72.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.3 m -112.77 179.52 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -137.38 -51.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.0 p -154.18 59.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.96 -56.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 16.7 t -109.87 -24.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.81 133.3 56.9 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.44 159.17 43.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.469 2.113 . . . . 0.0 112.426 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -153.63 163.94 39.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.2 m -155.79 135.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.53 127.23 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 22.4 mtt -111.84 124.09 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.64 139.92 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.36 159.75 26.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -121.87 179.73 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -177.45 -156.73 16.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.643 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.42 135.96 29.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -92.35 140.85 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.55 125.47 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.73 131.05 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 p80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 149.07 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.76 139.07 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.64 15.39 53.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.699 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.48 146.53 50.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -108.47 121.52 45.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 52' ' ' MET . 3.9 mp -127.99 137.65 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 pt -102.23 153.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.02 137.51 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.02 156.84 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.0 -161.55 16.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -131.48 138.45 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 112.08 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.2 111.6 4.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.653 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.2 127.44 55.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.623 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.6 p -144.92 151.44 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.141 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 61' ' ' LEU . 36.1 p90 -132.96 117.39 17.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.52 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 60' ' ' GLU . 4.0 m -94.82 140.02 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.44 104.2 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.542 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.493 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.4 ttt -64.72 123.37 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -137.91 97.29 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.154 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.04 -175.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 32.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -34.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.665 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -90.57 149.19 22.24 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.987 0.422 . . . . 0.0 111.422 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.34 95.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.69 122.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.362 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.649 ' HB3' HG23 ' A' ' 50' ' ' THR . 2.0 pt-20 -132.57 147.97 52.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -108.19 135.14 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 48' ' ' THR . 13.5 m -105.26 139.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.67 146.5 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.97 163.61 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.775 0.24 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.46 115.47 22.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.67 140.82 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.99 118.38 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.424 HD12 ' HE2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -80.37 119.2 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.71 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.39 141.49 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.424 ' HE2' HD12 ' A' ' 96' ' ' LEU . 76.0 m-85 -128.14 150.13 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.78 80.97 14.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.93 -51.06 5.16 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.651 2.234 . . . . 0.0 112.259 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.9 30.96 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.43 131.21 10.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.12 37.84 0.91 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.9 t -122.86 175.18 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -95.43 18.37 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -77.99 147.52 34.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.71 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -124.09 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -143.75 97.77 5.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.435 ' HG3' ' CE1' ' A' ' 152' ' ' PHE . 23.9 Cg_exo -63.87 171.12 7.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.564 2.176 . . . . 0.0 112.229 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 10.2 p90 -163.29 155.2 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.0 129.36 9.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.3 155.79 20.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.496 HD12 ' CA ' ' A' ' 148' ' ' GLY . 0.7 OUTLIER -148.15 129.59 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.17 164.48 13.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.496 ' CA ' HD12 ' A' ' 114' ' ' LEU . . . -93.37 169.9 30.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.44 142.41 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.35 152.49 27.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -142.77 161.11 27.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.53 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -124.18 113.89 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -95.41 129.3 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -119.11 118.98 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.423 ' HA ' HD13 ' A' ' 161' ' ' LEU . 8.1 mtt -86.63 116.23 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.1 mt -111.42 -19.37 12.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.15 -69.92 0.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.35 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.43 -27.66 31.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.537 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -99.28 26.76 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.182 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 64.43 -158.83 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 155' ' ' MET . 3.8 mm? -116.69 118.3 32.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.62 118.05 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -119.32 154.83 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.79 158.86 43.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.17 125.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 167' ' ' TRP . 21.4 t -136.3 158.25 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.464 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.42 120.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.38 127.47 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.38 -163.1 15.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -123.92 173.9 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.17 173.63 30.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.97 139.6 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -93.61 128.0 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 16.1 p80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -133.9 162.05 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.73 134.42 47.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.56 15.62 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.744 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.98 143.06 39.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -103.48 122.62 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 7' ' ' PHE . 22.1 mm -139.44 142.56 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.53 143.58 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.24 135.66 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.86 150.61 18.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.42 156.68 22.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.542 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.33 141.03 26.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.547 ' N ' HE21 ' A' ' 44' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.786 0.327 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.68 146.71 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.21 105.13 2.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.14 127.72 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 62' ' ' VAL . 61.7 p -136.49 148.21 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 111.264 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.77 109.81 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.451 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -94.86 127.03 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 111.396 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' VAL . 30.7 m-85 -118.24 100.77 7.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.329 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mtt -65.0 135.14 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.437 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.4 m-85 -136.95 97.18 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 68.85 -177.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.006 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.73 27.86 2.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -35.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.778 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -94.84 158.91 15.29 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.041 0.448 . . . . 0.0 111.51 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 158.08 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' HB2' ' A' ' 51' ' ' TYR . 8.6 m -148.7 138.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.944 0.402 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.77 150.34 51.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -116.99 150.39 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 95' ' ' LEU . 27.6 m -109.17 142.05 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.75 128.45 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.23 141.26 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.764 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.787 0.245 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.7 m -72.92 127.75 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.33 152.04 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.605 HD13 HG13 ' A' ' 62' ' ' VAL . 3.8 mp -146.3 157.76 43.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.0 161.44 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -141.06 123.04 15.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -135.3 150.31 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -102.53 104.72 39.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.05 -51.05 2.42 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 31.08 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.65 152.72 25.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.92 28.07 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 106' ' ' SER . 8.7 t -115.38 -173.78 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -95.66 18.3 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.737 ' H ' HG23 ' A' ' 104' ' ' THR . 59.2 p -81.52 158.79 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.77 -59.38 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -75.84 143.49 41.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -128.52 107.29 19.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.84 174.05 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.413 2.075 . . . . 0.0 112.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 101.05 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.28 97.7 2.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.32 141.46 15.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -130.64 129.48 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.87 135.62 12.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.331 . . . . 0.0 111.137 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.529 ' O ' HD23 ' A' ' 114' ' ' LEU . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.14 132.01 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.75 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.74 122.25 47.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.72 153.32 16.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -123.07 99.44 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.49 143.42 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -154.04 120.43 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.0 ttt -64.63 130.64 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.679 HD22 ' CG ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -111.75 -19.97 12.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.285 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.2 -69.52 0.14 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.727 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.679 ' CG ' HD22 ' A' ' 156' ' ' LEU . 18.7 m170 -105.41 30.19 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.67 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 151.86 41.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -144.43 126.75 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.588 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -143.12 171.7 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.9 ttt -131.51 160.13 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.678 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -128.61 137.04 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.77 135.97 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.863 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.9 ttt -107.66 114.8 29.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.86 133.42 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.67 176.62 32.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.611 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -127.87 175.8 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.529 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -135.4 171.35 22.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.7 159.75 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 123.76 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -162.04 163.28 28.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.03 121.38 29.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.51 15.4 23.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.684 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.96 145.49 48.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' O ' HD13 ' A' ' 8' ' ' ILE . 81.5 m-85 -100.02 121.61 41.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 7' ' ' PHE . 16.6 mm -126.03 130.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.62 142.91 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -154.71 156.69 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.36 145.39 9.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.17 -137.19 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -147.68 161.9 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HB3' HG23 ' A' ' 65' ' ' THR . 15.5 tp -65.94 124.68 23.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.19 112.9 3.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.5 137.75 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.322 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 61' ' ' LEU . 62.9 m -136.33 136.96 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.078 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -127.7 108.07 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.692 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -104.13 128.34 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' HB2' HG23 ' A' ' 59' ' ' VAL . 2.6 m-85 -105.87 100.87 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 131.04 49.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.92 97.23 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.183 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.87 -172.62 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.286 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.0 31.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.497 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -150.4 -37.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 5.1 m0 -94.8 145.99 24.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.978 0.418 . . . . 0.0 111.469 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.87 128.85 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.355 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 51' ' ' TYR . 20.2 m -120.88 122.87 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -118.64 139.66 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 48' ' ' THR . 3.7 mp -107.85 147.3 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.62 124.94 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.39 149.85 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.55 161.51 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.3 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.81 0.254 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.72 114.18 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 tp -106.67 128.02 53.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 96' ' ' LEU . 1.4 tt -114.82 128.31 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 116' ' ' VAL . 3.5 tp -80.32 149.06 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -134.96 131.74 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -130.58 150.18 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 111' ' ' TYR . 4.1 m-85 -107.38 76.04 0.49 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.27 -43.17 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.2 ptp -126.33 33.31 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.7 130.42 10.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.13 57.76 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.5 -178.61 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -96.52 18.43 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -60.9 143.36 55.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.93 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -122.02 127.98 50.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -105.24 88.12 2.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 134.89 30.47 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 99' ' ' TYR . 29.0 m-85 -125.14 139.56 53.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.62 146.45 48.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.516 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.52 119.84 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 114' ' ' LEU . 13.7 mt -131.17 129.59 41.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.84 117.57 7.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 96' ' ' LEU . 12.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -161.34 152.09 22.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.2 158.1 21.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.93 129.26 55.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.15 159.35 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.67 100.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.92 134.13 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -147.17 122.61 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 5.6 ttt -71.11 124.16 23.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -105.75 -4.09 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 64.81 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.72 -42.53 88.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.572 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -98.7 28.46 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.63 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 160' ' ' ALA . 2.7 mp -148.9 167.47 25.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.941 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.35 133.93 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.11 142.57 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 62.3 mtp -142.81 142.69 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.73 134.13 48.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.77 160.42 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 41.8 mtp -126.77 137.12 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 200' ' ' MET . 2.9 pt -157.17 133.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.38 -173.31 42.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.557 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -121.8 166.9 13.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.705 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -143.77 -167.61 11.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.65 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.539 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -157.7 122.58 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.011 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HG3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -89.61 130.39 35.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.813 0.34 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -152.88 -173.18 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 53' ' ' PHE . . . -70.24 115.49 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.48 9.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.772 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.51 123.93 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.958 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' HD13 ' A' ' 8' ' ' ILE . 31.9 t80 -115.07 137.98 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 7' ' ' PHE . 12.0 mm -139.27 146.16 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.74 121.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.91 138.14 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.78 112.93 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.42 -140.11 2.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.572 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -139.29 145.42 39.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 200' ' ' MET . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -81.62 102.58 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.62 114.21 5.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 45' ' ' LEU . 3.6 mp -117.42 127.57 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.4 m -146.0 144.69 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -113.08 125.48 54.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.76 121.95 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -136.64 103.09 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ptp -117.16 158.0 24.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.934 0.397 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -115.32 97.32 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.806 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 70.0 -169.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.73 45.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.09 -45.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -95.53 159.21 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.52 141.14 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.18 141.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 48' ' ' THR . 23.8 tt0 -146.95 151.56 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 111.382 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -130.02 125.0 34.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.665 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.421 ' HA ' HG23 ' A' ' 48' ' ' THR . 24.7 t -100.83 153.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.963 0.411 . . . . 0.0 111.352 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -163.83 124.28 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.69 163.64 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.271 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.872 0.28 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 133.15 47.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -108.7 123.38 48.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -122.6 130.31 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.755 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.95 129.12 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -111.89 141.18 45.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -149.55 133.97 17.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -141.28 94.63 7.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.6 -47.15 17.29 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.566 2.178 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.2 mtp -112.57 33.4 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.24 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.12 124.31 8.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.67 49.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 p -97.22 -170.82 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -95.11 18.37 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -94.9 174.36 7.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.57 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -76.62 117.06 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -113.32 110.61 50.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.04 137.19 40.25 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.425 2.084 . . . . 0.0 112.231 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -138.41 122.55 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.97 150.63 21.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 95' ' ' LEU . 2.4 tt -144.76 137.67 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.67 129.45 9.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.557 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.151 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.783 0.325 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.55 168.65 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.592 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -157.0 146.67 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.93 144.75 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.73 137.5 9.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -116.53 133.94 55.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 113.14 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -109.07 105.64 15.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.547 ' HA ' HD13 ' A' ' 161' ' ' LEU . 7.2 mtm -71.46 122.85 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.3 OUTLIER -111.5 -23.66 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.57 -69.67 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.88 -32.28 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.517 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.2 OUTLIER -108.95 30.7 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.573 ' C ' HD22 ' A' ' 161' ' ' LEU . . . 66.98 -145.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.795 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 160' ' ' ALA . 3.7 mm? -116.38 139.37 50.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.809 0.338 . . . . 0.0 110.645 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.68 120.73 36.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.013 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -110.58 123.5 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.8 mtt -116.93 155.12 29.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -151.13 103.67 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.34 120.95 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.233 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.563 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.7 mtt -115.07 123.41 48.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.48 142.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.0 -162.64 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 83.7 m-85 -121.62 175.7 6.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.738 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.54 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.38 131.46 4.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.602 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' ILE . 62.9 m-85 -116.15 138.02 51.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 8' ' ' ILE . 1.1 mttm -107.63 140.9 39.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.836 0.35 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -139.11 -178.41 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.77 127.23 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.64 15.36 8.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.703 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 123.68 25.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' OH ' ' A' ' 51' ' ' TYR . 48.4 m-85 -103.54 123.53 47.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -140.61 149.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 49' ' ' PHE . 7.1 tp -111.66 144.02 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -133.65 146.14 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.8 159.0 31.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.03 -142.44 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.554 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -143.85 162.0 37.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 110.765 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 19.0 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.49 109.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 109.95 3.09 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.604 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 45' ' ' LEU . 78.7 mt -116.08 127.54 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.536 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 61' ' ' LEU . 87.2 m -147.45 140.47 25.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.22 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 9' ' ' ILE . 88.8 m-85 -120.81 115.4 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 97' ' ' GLN . 38.4 m -103.39 129.86 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.404 ' OH ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 t80 -111.59 120.02 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.579 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 127.46 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.64 97.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.062 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 71.53 -176.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.235 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.48 29.14 2.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -150.46 -36.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.678 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -93.7 146.31 23.94 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.005 0.431 . . . . 0.0 111.584 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.19 160.2 31.46 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.262 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.57 146.12 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 0.0 111.22 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -138.63 121.48 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -125.45 132.78 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 95' ' ' LEU . 21.5 t -110.6 151.78 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.24 126.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 44' ' ' GLN . . . -134.29 163.66 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 120.833 0.264 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 94' ' ' LEU . 4.3 mm? -96.66 136.44 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' CD1' HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -143.48 155.28 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.585 ' HB2' HD13 ' A' ' 114' ' ' LEU . 7.5 mt -109.86 168.17 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.412 ' OE1' HG23 ' A' ' 50' ' ' THR . 32.8 tt0 -136.6 120.37 17.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -128.96 120.79 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -55.4 109.0 1.34 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.95 -50.75 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 112.307 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 27.38 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.92 152.95 43.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.84 42.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.06 175.37 13.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -103.05 18.3 22.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -62.77 149.83 42.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.04 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -92.63 135.87 33.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.77 74.4 78.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.19 147.18 91.83 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.691 2.261 . . . . 0.0 112.159 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE1' ' HA3' ' A' ' 151' ' ' GLY . 43.3 p90 -142.36 153.4 43.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.75 155.92 17.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.549 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.47 132.04 6.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 96' ' ' LEU . 4.7 mp -112.38 129.61 56.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.486 ' HA2' HD23 ' A' ' 95' ' ' LEU . . . -90.18 128.87 9.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.549 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.41 137.6 9.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 152.89 51.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.4 127.63 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.412 ' HA3' ' CE1' ' A' ' 111' ' ' TYR . . . -119.89 166.73 13.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.553 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 152' ' ' PHE . 4.0 m-85 -131.01 128.71 40.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.97 139.84 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -133.67 126.59 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.764 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.8 ttp -102.7 115.01 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.5 mt -111.16 -17.18 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.0 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.04 -72.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.88 -28.13 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.105 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.56 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -102.35 32.25 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 59.0 -163.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -116.73 148.52 41.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.57 141.38 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.785 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -139.83 120.73 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.68 162.96 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -156.44 137.98 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.23 152.14 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.8 t90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.0 mtt -143.41 119.39 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.19 126.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.36 -162.79 14.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.57 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.25 178.57 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.95 162.62 29.47 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.43 151.11 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 ttmm -113.47 133.17 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -105.8 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 116.99 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 116.11 15.59 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.702 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.76 147.08 43.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.52 124.26 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 52' ' ' MET . 2.0 mp -130.13 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.86 141.71 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -153.78 164.46 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.37 144.47 8.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.67 -171.45 15.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.93 161.96 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 135.86 56.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.4 97.98 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.666 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.0 tp -102.54 150.85 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 61' ' ' LEU . 24.3 p -150.85 155.83 39.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.403 . . . . 0.0 111.26 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' HB2' HD12 ' A' ' 61' ' ' LEU . 90.5 m-85 -128.36 117.07 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -94.78 125.35 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.316 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 4.6 t80 -111.04 100.92 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.505 ' HG3' HD11 ' A' ' 8' ' ' ILE . 3.1 mmt -69.11 127.59 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -137.93 97.24 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 69.3 177.78 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.204 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.12 33.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.806 0.336 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -150.41 -34.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.637 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.521 ' CZ2' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.52 149.88 22.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 111.487 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.55 119.18 0.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.69 149.34 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.344 . . . . 0.0 111.186 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -140.87 138.54 34.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' THR . 72.7 mt -108.04 150.43 27.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.51 ' CG2' HD12 ' A' ' 95' ' ' LEU . 21.9 t -113.41 140.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -142.16 137.73 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.36 163.7 32.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.862 0.276 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 114.26 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 128.95 51.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -134.89 124.87 25.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.75 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.521 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -90.8 131.99 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -125.7 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.88 150.24 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 m-85 -105.65 101.84 34.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 -51.11 5.98 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.539 2.16 . . . . 0.0 112.322 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.22 33.33 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.11 121.03 11.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.84 44.94 1.07 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p -132.06 -171.91 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -92.71 18.3 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p -73.12 146.57 45.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.06 -50.94 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -91.27 145.2 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.37 75.93 2.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.91 134.05 19.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 19.0 p90 -122.87 134.38 54.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.8 20.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.98 -147.0 7.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 152.48 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.22 178.92 16.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.862 0.363 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -66.57 161.98 45.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -168.23 139.79 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.04 128.22 44.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -121.28 149.19 17.35 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.404 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -108.04 116.92 32.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -95.05 109.44 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -119.5 109.42 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 161' ' ' LEU . 2.2 mtt -93.57 139.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -107.63 -38.36 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.67 -2.02 2.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.58 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 156' ' ' LEU . 6.6 tp10 -85.95 -44.11 12.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -136.26 -32.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.513 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -176.66 -163.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 155' ' ' MET . 9.6 mt -116.67 138.94 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.61 146.22 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.74 144.0 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.84 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.19 132.73 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.63 137.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.2 mtm -112.23 129.83 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.03 141.57 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.73 -162.93 27.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.558 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -133.08 176.38 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.511 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.4 -161.44 13.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -156.29 159.66 39.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.06 137.23 54.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -162.27 153.21 17.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 132.98 52.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.49 15.4 32.3 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.739 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.17 147.02 53.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -120.11 115.47 23.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.3 mt -127.36 140.78 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -95.24 152.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.89 135.19 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.01 144.69 15.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.74 148.57 18.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.84 118.25 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.778 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.23 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.62 103.89 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.2 111.3 3.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.41 127.49 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.749 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 62' ' ' VAL . 52.6 p -141.2 150.7 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . 5.7 m-85 -126.6 123.13 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.66 110.09 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 49' ' ' PHE . 12.0 m-85 -101.76 100.94 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 132.26 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -131.53 97.2 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.239 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.19 -173.77 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.268 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -94.71 33.02 1.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.635 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -150.25 -35.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.954 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -103.35 142.58 33.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.569 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -150.92 125.34 1.88 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.153 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 t -100.73 144.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.289 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.13 121.81 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.2 mp -103.28 148.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.919 ' HA ' HG22 ' A' ' 48' ' ' THR . 5.3 m -124.57 147.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.24 131.14 3.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 163.48 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' LEU . 29.2 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.465 -0.175 0 CA-C-O 120.869 0.279 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.632 ' HB ' HG23 ' A' ' 62' ' ' VAL . 85.6 m -114.41 122.42 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.7 tp -97.69 140.54 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 tt -139.34 153.51 47.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -131.51 142.41 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.56 149.08 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -112.99 150.13 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HA3' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -116.62 78.75 9.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 -45.64 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.525 2.15 . . . . 0.0 112.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.62 30.59 5.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 99' ' ' TYR . . . -96.17 129.68 9.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.39 64.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.85 179.07 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -96.37 18.36 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.1 p -80.88 139.53 35.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.33 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.81 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 152' ' ' PHE . 0.4 OUTLIER -84.93 113.65 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -133.6 97.74 15.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' CD2' ' A' ' 152' ' ' PHE . 58.2 Cg_endo -71.63 -179.59 3.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.489 2.126 . . . . 0.0 112.195 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -175.82 169.84 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.75 163.63 30.99 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.14 93.9 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 114' ' ' LEU . 3.9 mp -111.44 135.24 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.38 137.95 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.426 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.51 146.16 18.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -146.02 157.21 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.55 132.28 54.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.74 141.49 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.652 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 110' ' ' PRO . 85.6 m-85 -130.35 104.3 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.761 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.75 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -127.93 121.31 29.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.471 ' HG2' HD11 ' A' ' 161' ' ' LEU . 19.0 mtt -79.5 110.34 14.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.88 -19.32 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.67 -79.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.19 -27.74 67.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -117.94 33.85 5.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.88 -147.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.55 141.78 47.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.813 0.34 . . . . 0.0 110.734 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.68 117.88 31.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -102.19 105.64 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 19.5 ttt -110.41 129.93 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.72 126.9 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.201 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.95 145.78 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.627 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 0.5 OUTLIER -109.72 117.18 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.56 145.23 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.7 23.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.85 166.3 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.442 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.79 155.18 26.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -159.56 123.91 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.766 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -87.85 139.82 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.7 m80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.13 147.21 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 138.96 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.38 15.48 47.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.716 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.18 139.13 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 8' ' ' ILE . 17.0 t80 -101.96 135.27 43.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -144.41 126.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.38 145.06 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -140.54 137.22 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.75 178.78 44.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.73 146.4 15.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -150.88 148.32 28.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 102.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.97 124.01 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.616 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.85 134.72 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -148.69 145.54 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -119.57 112.36 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OE1' ' A' ' 60' ' ' GLU . 3.6 m -96.12 138.49 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.13 100.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 8' ' ' ILE . 2.8 ttm -62.06 118.9 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -138.04 97.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.991 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.6 -176.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.5 31.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.723 0.296 . . . . 0.0 110.425 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -150.53 -35.91 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.827 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 21.9 m95 -97.63 150.71 20.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.036 0.446 . . . . 0.0 111.445 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.44 125.25 1.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.77 125.37 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE1' HG23 ' A' ' 50' ' ' THR . 1.1 tt0 -124.73 134.16 52.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 48' ' ' THR . 5.7 mt -115.64 149.87 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.4 t -107.76 143.66 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.9 131.54 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 163.69 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 93' ' ' THR . 71.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.726 0.219 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 92' ' ' PRO . 1.2 p -158.95 126.06 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.81 128.0 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 115' ' ' GLY . 14.0 tp -124.38 122.45 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.659 HD13 HG21 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -85.7 117.54 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -106.03 139.26 40.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -149.76 150.07 31.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.96 107.4 18.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -44.62 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.422 2.082 . . . . 0.0 112.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 ttt -126.06 31.51 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.62 134.16 12.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.48 44.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.6 t -137.09 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -96.43 18.18 14.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.47 176.28 9.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.6 -39.02 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 108' ' ' PHE . 51.2 p90 -87.12 123.4 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.84 110.61 33.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -51.85 170.95 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.234 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.37 110.94 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.6 101.49 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.42 151.59 18.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.98 137.87 12.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 95' ' ' LEU . . . -91.49 125.8 8.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.659 HG21 HD13 ' A' ' 96' ' ' LEU . 31.4 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -116.68 156.66 15.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.99 144.98 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.13 130.16 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.52 -179.12 19.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -138.59 138.59 38.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.47 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -109.46 120.65 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.7 114.05 25.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 159' ' ' HIS . 5.4 mt -109.25 -23.6 11.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.03 -73.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.7 -30.64 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.607 ' HB3' HD13 ' A' ' 156' ' ' LEU . 23.7 t-80 -116.9 33.76 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.41 -165.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 161' ' ' LEU . 3.1 mp -118.24 148.32 42.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 203' ' ' PHE . 1.2 m-85 -110.47 144.98 38.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.7 138.56 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.557 ' CE ' HD12 ' A' ' 201' ' ' ILE . 10.4 mtt -132.21 164.55 26.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.542 ' HB3' ' CB ' ' A' ' 200' ' ' MET . . . -157.88 138.49 12.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.66 146.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 m95 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.542 ' CB ' ' HB3' ' A' ' 165' ' ' ALA . 88.6 mmm -111.44 116.15 30.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.557 HD12 ' CE ' ' A' ' 164' ' ' MET . 1.3 tt -140.73 140.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.64 -167.54 13.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 162' ' ' PHE . 2.6 m-85 -122.02 -179.68 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.58 155.73 26.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -159.68 127.0 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -86.7 134.15 33.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -145.08 157.51 44.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.07 132.96 41.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.68 15.44 29.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.707 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.2 153.37 42.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -111.82 147.58 35.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 52' ' ' MET . 17.0 mt -139.3 141.07 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.41 126.52 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.2 150.49 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.23 137.55 5.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.21 -132.11 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.552 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.44 161.73 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 65' ' ' THR . 1.9 mt -76.05 131.51 39.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.97 121.12 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.91 127.94 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.799 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.869 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.8 p -142.74 132.36 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.43 121.85 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.39 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.116 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 3.1 m-85 -113.85 126.56 55.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.659 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.478 ' HB2' HD11 ' A' ' 8' ' ' ILE . 3.5 ttm -96.44 125.84 41.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -135.9 97.31 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.03 -175.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.57 34.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.2 -35.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.647 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 5.4 m95 -101.32 142.19 33.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 0.0 111.439 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.89 130.18 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.076 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.38 148.92 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.326 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -146.93 143.65 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -136.06 150.38 49.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.95 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.869 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -114.24 139.4 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.74 119.39 5.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.45 162.56 24.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 6.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.809 0.254 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -83.23 115.68 22.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -105.36 142.17 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.62 153.08 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.88 142.45 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -109.92 131.29 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -132.64 139.85 47.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 49.0 m-85 -106.62 87.44 2.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.52 -36.62 8.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.532 2.154 . . . . 0.0 112.414 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 51.0 mtt -123.99 32.48 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.75 136.58 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.563 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.25 33.93 1.41 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -115.18 175.61 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.29 18.32 12.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -71.01 152.86 43.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.09 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.39 152.12 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 74.48 2.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.09 138.32 30.63 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.597 2.198 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 53.8 p90 -148.61 146.58 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.81 157.34 30.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.88 127.8 2.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 115' ' ' GLY . 0.5 OUTLIER -116.94 143.92 45.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.818 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.419 ' H ' HD23 ' A' ' 114' ' ' LEU . . . -114.72 153.65 17.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 94' ' ' LEU . 15.8 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.777 0.323 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.22 145.76 19.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.29 152.98 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.9 mp -111.93 132.27 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -125.35 142.38 13.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -131.14 117.96 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.11 151.87 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -141.01 127.31 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.4 ttt -98.39 119.5 37.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 160' ' ' ALA . 3.5 mp -103.72 -1.23 28.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.391 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.99 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 111.267 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.28 -35.29 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.285 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -97.49 33.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 156' ' ' LEU . . . 56.72 -163.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 161' ' ' LEU . 1.7 mp -116.79 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.8 149.06 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.496 ' O ' HD12 ' A' ' 201' ' ' ILE . 2.7 p-10 -132.69 150.16 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 ttp -131.46 147.39 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -135.93 123.14 21.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.9 143.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.638 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 9.6 mtt -106.77 126.69 52.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 163' ' ' ASN . 5.3 tp -146.03 139.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -162.1 166.38 36.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.555 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.53 158.24 36.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.2 -173.76 37.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.33 138.87 46.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.16 104.57 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -157.36 154.32 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.36 119.68 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.83 15.44 7.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.724 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.26 138.95 40.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.762 0.315 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.68 133.4 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.6 mp -139.84 149.24 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 mt -121.86 152.13 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.93 150.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.53 159.31 27.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.374 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.15 -166.77 23.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.727 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -154.38 162.11 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.763 0.316 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 101.12 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.719 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.43 125.85 8.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.97 158.78 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 61' ' ' LEU . 69.1 m -149.87 135.51 18.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.73 104.69 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.533 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 60' ' ' GLU . 88.6 m -95.13 126.24 40.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.42 100.92 8.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 133.9 49.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.21 97.2 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.43 179.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.298 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.68 36.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.666 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -150.28 -35.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.717 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.518 ' HH2' HD23 ' A' ' 96' ' ' LEU . 49.7 t-105 -108.65 150.07 28.05 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.11 122.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.265 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.19 151.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 111.355 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HG2' HG23 ' A' ' 50' ' ' THR . 45.4 mt-10 -141.29 139.87 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 48' ' ' THR . 9.5 tp -102.67 150.41 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 143.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.84 160.1 33.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.26 144.87 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.839 0.266 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -115.21 142.68 46.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' A' ' 61' ' ' LEU . 3.0 mp -122.8 137.13 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.87 137.7 51.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.518 HD23 ' HH2' ' A' ' 57' ' ' TRP . 8.5 mp -102.35 149.83 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.81 130.57 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.35 122.69 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.4 p90 -134.32 97.45 14.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 -27.89 23.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 112.355 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 mtp -122.83 33.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.72 123.04 7.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.97 46.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.438 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -121.02 174.73 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -95.56 18.34 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.67 158.9 23.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.13 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.5 133.15 34.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.23 84.66 6.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 151.04 81.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.601 2.201 . . . . 0.0 112.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -140.58 146.41 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.0 105.79 2.91 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.32 140.95 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -139.44 150.41 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.27 143.14 16.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.73 137.19 41.67 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 146.09 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.593 ' HB2' HG23 ' A' ' 166' ' ' VAL . 10.6 mp -109.17 134.13 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.98 126.18 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.18 116.49 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 124.01 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -110.33 135.45 51.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt -102.63 110.23 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -108.31 -25.62 10.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -71.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -30.98 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.731 ' HB2' HD22 ' A' ' 156' ' ' LEU . 7.6 m-70 -113.52 31.06 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.51 -165.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.79 132.77 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -101.52 138.24 38.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -122.06 125.59 46.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.9 157.06 16.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -144.85 113.67 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 150' ' ' LEU . 4.3 m -131.89 168.97 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.614 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 7.2 ttp -100.98 121.0 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.99 135.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -164.41 -172.63 32.12 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -142.18 163.43 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.568 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -170.0 -172.76 36.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -143.29 148.16 35.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 8' ' ' ILE . 37.1 pttt -107.77 139.31 42.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -163.42 -177.8 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.59 132.86 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.46 15.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -79.88 148.53 31.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -123.74 137.2 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HG2' ' A' ' 206' ' ' LYS . 41.5 mt -136.28 149.36 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.67 149.93 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.91 147.81 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.07 149.77 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.67 -149.41 6.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.625 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.38 161.29 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.39 145.54 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 107.24 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.719 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -115.02 150.61 35.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.663 0.268 . . . . 0.0 110.554 179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.52 ' OG1' HG12 ' A' ' 62' ' ' VAL . 25.8 m -154.84 148.24 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CZ ' HD21 ' A' ' 47' ' ' LEU . 64.3 m-85 -131.58 108.68 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 60' ' ' GLU . 2.8 m -94.7 116.14 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.9 m-85 -103.92 106.51 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ttt -68.55 127.66 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 5.0 m-85 -133.45 97.27 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 67.42 -172.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.95 31.12 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.524 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 -37.41 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.548 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.38 153.75 20.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.039 0.447 . . . . 0.0 111.318 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.32 104.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.16 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 m -100.6 151.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.348 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.6 mt-10 -136.15 111.59 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 51' ' ' TYR . 5.2 mp -96.25 117.63 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 93' ' ' THR . 35.8 m -100.94 147.4 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -138.2 120.37 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.75 160.2 33.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 67.8 Cg_exo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.777 0.241 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 62' ' ' VAL . 2.5 t -75.67 140.53 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 149.81 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.0 OUTLIER -137.4 126.63 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.445 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -96.55 142.14 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.628 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 41.5 mt-30 -150.51 164.97 34.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.456 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -148.98 142.73 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -67.07 109.89 4.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 -51.04 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.402 2.068 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.64 33.44 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -56.19 122.13 26.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.99 32.94 1.6 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -116.77 -178.39 3.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -99.17 18.31 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.437 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -85.67 128.69 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.0 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 106' ' ' SER . 42.3 p90 -71.33 129.36 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -100.49 97.57 6.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.56 140.91 44.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.429 2.086 . . . . 0.0 112.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -120.43 102.1 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.54 116.49 5.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -165.38 -153.55 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.848 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.26 149.42 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.868 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -98.67 177.73 30.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.759 0.314 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -59.54 170.43 6.1 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.61 140.59 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.68 126.55 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.41 151.66 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.96 92.55 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.99 132.37 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.99 117.74 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.3 ptp -92.62 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.33 -20.18 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.57 -68.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -28.43 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -120.78 32.81 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.046 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.76 -157.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.43 126.0 52.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.474 ' HE2' HD11 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -95.57 137.64 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -131.81 126.18 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.22 169.91 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -153.63 106.31 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.68 172.75 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.628 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -131.06 124.83 31.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.474 HD11 ' HE2' ' A' ' 162' ' ' PHE . 1.3 tt -136.23 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -166.01 173.28 41.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -137.02 158.6 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.2 -164.46 17.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -159.6 134.99 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.453 ' HG2' HD13 ' A' ' 8' ' ' ILE . 28.4 mttt -86.79 140.86 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.957 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.792 0.329 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 157.49 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.81 144.98 51.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.46 58.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.707 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.3 133.49 35.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -109.08 128.34 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.742 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.555 HG22 ' HA ' ' A' ' 206' ' ' LYS . 48.7 pt -138.72 148.51 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.267 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 20.8 mt -100.28 158.83 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB3' HG23 ' A' ' 48' ' ' THR . 3.2 ttm105 -162.73 148.2 12.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.89 146.1 17.09 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.323 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.39 165.18 12.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.693 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -148.84 107.62 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.345 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.59 133.57 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.93 125.61 8.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.615 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.8 127.45 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.316 . . . . 0.0 110.637 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 10' ' ' ARG . 11.5 t -146.7 151.93 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.15 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.59 119.24 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.84 132.17 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.0 100.93 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 125.67 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.19 97.24 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.239 179.588 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.02 -174.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.334 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.32 33.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -150.37 -36.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.831 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 10.4 m0 -99.55 137.77 37.57 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 121.057 0.456 . . . . 0.0 111.418 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.91 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.335 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.03 135.53 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.706 ' HB3' HG23 ' A' ' 50' ' ' THR . 3.0 pt-20 -141.5 144.44 34.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.911 HD21 ' HB2' ' A' ' 92' ' ' PRO . 2.8 tt -112.07 121.51 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.79 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.99 154.6 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.28 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.63 164.41 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.33 163.33 16.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.911 ' HB2' HD21 ' A' ' 61' ' ' LEU . 65.2 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.821 0.259 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -87.74 114.08 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -99.6 129.02 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 HG21 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -86.44 130.35 34.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -118.0 135.58 54.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -126.24 150.21 48.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.425 ' CD1' ' CA ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -99.83 97.25 5.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 -46.09 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.478 2.119 . . . . 0.0 112.267 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.79 29.86 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.425 ' CA ' ' CD1' ' A' ' 99' ' ' TYR . . . -75.21 94.05 0.9 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 104' ' ' THR . . . 168.53 44.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.573 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -167.75 -179.75 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -110.66 18.28 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.38 165.54 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.32 -34.68 31.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -70.96 112.14 6.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -112.86 82.77 5.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.13 161.84 44.49 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.545 2.163 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -156.96 132.68 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.82 110.65 4.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -92.24 138.58 14.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 113' ' ' GLY . 30.4 mt -141.68 136.93 31.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.62 129.78 9.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.396 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.436 HG21 HD13 ' A' ' 96' ' ' LEU . 24.6 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.84 165.17 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -142.97 154.43 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.1 119.57 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.14 134.42 11.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.18 102.6 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.81 142.65 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.46 150.83 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 mtt -77.2 128.87 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -109.98 -26.94 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 69.38 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.07 -45.67 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.15 31.16 3.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.75 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 64.16 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.74 153.77 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.804 ' HB2' HD23 ' A' ' 156' ' ' LEU . 5.7 t80 -128.11 143.5 51.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.75 157.13 44.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.245 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.27 172.04 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.695 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 138.03 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.6 m -144.66 131.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.415 ' CD1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 110.794 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.881 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 32.5 mmm -114.57 115.59 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 199' ' ' TYR . 3.7 mp -141.8 145.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.44 -162.8 28.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.64 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.434 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 8.7 p90 -148.08 175.18 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 0.0 110.731 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.677 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -159.02 -165.37 15.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.778 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.414 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.7 OUTLIER -141.68 131.05 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.794 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.555 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -101.11 131.63 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -137.63 140.93 41.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 128.61 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.62 15.54 26.78 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.766 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 155.76 39.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 146.68 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' ' 206' ' ' LYS . 12.8 mt -144.11 145.34 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -113.6 123.19 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' NE ' HD12 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -134.66 167.94 19.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.03 146.89 9.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.99 -158.45 8.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.589 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -134.66 160.98 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.47 133.97 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.775 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.62 116.01 5.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.688 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.63 127.47 53.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.578 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -133.02 137.49 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.322 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -122.03 112.43 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.425 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.75 129.97 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 111.187 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.436 ' HB3' HG12 ' A' ' 59' ' ' VAL . 1.2 t80 -110.46 100.87 9.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.35 122.33 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -134.04 97.24 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.91 -175.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.228 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.43 33.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.78 0.324 . . . . 0.0 110.474 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -150.42 -37.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.725 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 96' ' ' LEU . 7.6 m95 -97.87 150.36 21.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.046 0.45 . . . . 0.0 111.517 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.03 109.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 51' ' ' TYR . 11.1 p -100.69 151.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -138.57 148.51 44.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.611 ' HG ' HD12 ' A' ' 94' ' ' LEU . 1.1 tt -129.38 122.47 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.9 152.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.281 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -158.39 124.63 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.57 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.715 0.215 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.46 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.611 HD12 ' HG ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -100.37 146.26 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.32 122.88 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 57' ' ' TRP . 5.7 tt -89.45 148.42 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -140.73 158.08 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 43.2 p90 -145.29 127.11 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' HA ' ' CG ' ' A' ' 111' ' ' TYR . 7.4 p90 -132.19 73.43 77.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' A' ' 111' ' ' TYR . 53.1 Cg_exo -55.04 -48.17 22.54 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.561 2.174 . . . . 0.0 112.418 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -27.56 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.92 94.65 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.19 57.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.572 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.63 -172.61 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -92.94 18.21 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -73.37 176.34 6.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.766 ' HB1' ' CE2' ' A' ' 154' ' ' TYR . . . -90.98 -64.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -92.47 141.82 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -131.62 90.53 36.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 58.8 Cg_endo -71.74 127.66 13.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.569 2.179 . . . . 0.0 112.261 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CG ' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -177.45 -164.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.95 -168.21 25.73 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -155.44 -118.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.752 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -134.03 172.99 12.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 110.976 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -131.87 -160.95 9.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 94' ' ' LEU . 12.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.23 136.94 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 119.54 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.8 tp -123.23 153.9 39.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -170.21 -152.04 7.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 82.8 m-85 -134.68 129.44 34.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.79 125.01 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.766 ' CE2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -99.48 106.4 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.7 mmt -102.85 103.79 13.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 159' ' ' HIS . 6.3 mt -111.74 -17.07 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.163 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 67.11 -75.86 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -29.48 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 156' ' ' LEU . 1.2 t-80 -100.52 28.19 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . 66.27 -170.46 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 205' ' ' TYR . 0.2 OUTLIER -142.42 139.22 31.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.404 . . . . 0.0 111.075 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.15 130.55 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -104.62 126.73 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.056 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.61 ' HG3' HG22 ' A' ' 201' ' ' ILE . 11.9 ttm -133.57 132.52 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.01 150.33 35.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.37 138.22 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.1 p-90 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 201' ' ' ILE . 52.7 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.8 0.334 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 5.7 mmm -111.25 133.1 53.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.61 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.7 pt -139.96 138.81 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.68 178.58 44.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.614 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -139.82 164.73 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -166.68 -154.4 8.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.627 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.605 ' HA ' HD21 ' A' ' 161' ' ' LEU . 15.5 m-85 -151.6 159.72 43.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.657 ' HA ' HG23 ' A' ' 8' ' ' ILE . 27.2 mttt -94.44 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.62 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 138.95 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.89 15.52 39.14 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.712 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.19 144.0 34.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 137.35 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 206' ' ' LYS . 4.8 mp -141.83 141.23 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 pt -139.85 129.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 161.15 43.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.39 153.71 25.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.723 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -134.98 161.95 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.755 0.312 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.59 119.41 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.9 124.34 7.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.664 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 127.49 41.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.2 p -130.14 139.14 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.13 104.58 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.468 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 85.9 m -96.62 138.11 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -122.73 108.14 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.67 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.29 128.48 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 10.7 t80 -138.0 97.38 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.153 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.21 -177.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.187 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -92.63 31.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -150.51 -36.6 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.766 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -102.38 162.46 12.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.07 143.78 5.48 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.146 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 t -100.73 151.11 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' HG3' HE22 ' A' ' 97' ' ' GLN . 6.1 tm-20 -145.69 124.35 12.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.77 150.43 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.94 135.12 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.39 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.53 163.72 28.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 N--CA 1.465 -0.177 0 CA-C-O 120.853 0.272 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.3 125.65 29.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.07 145.35 38.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mp -146.61 135.72 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.95 133.2 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.498 HE22 ' HG3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -104.03 134.06 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -148.73 134.56 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -138.68 88.82 13.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.74 -50.54 12.23 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.61 2.206 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 33.33 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.03 110.96 4.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.8 57.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.26 179.59 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.63 -8.43 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m -57.56 147.6 26.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -81.96 124.22 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.79 111.89 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.764 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.79 150.57 78.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.381 2.054 . . . . 0.0 112.213 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -129.24 131.89 47.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.16 136.05 13.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.91 127.77 5.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.579 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 138.25 52.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 147' ' ' ALA . . . -85.77 132.35 11.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.486 ' HB1' ' HZ2' ' A' ' 167' ' ' TRP . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.86 159.53 19.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.667 ' OE2' ' HB1' ' A' ' 165' ' ' ALA . 55.8 tt0 -166.94 151.68 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.023 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.45 HD13 HG13 ' A' ' 166' ' ' VAL . 4.0 mp -113.82 147.65 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.49 124.1 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.632 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -104.87 102.99 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.12 139.97 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -128.38 124.16 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.6 mtt -93.65 110.17 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mp -110.52 -24.3 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.77 -74.72 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.42 -27.35 68.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 32.79 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.13 -157.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.6 145.91 43.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.01 120.47 40.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.37 121.6 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.625 ' HG3' HG22 ' A' ' 201' ' ' ILE . 3.2 ttt -110.98 161.63 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.667 ' HB1' ' OE2' ' A' ' 149' ' ' GLU . . . -146.87 145.97 30.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 199' ' ' TYR . 12.5 p -153.11 128.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.486 ' HZ2' ' HB1' ' A' ' 147' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.612 ' CE1' HG23 ' A' ' 166' ' ' VAL . 26.3 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.607 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 11.4 ttm -137.99 136.45 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 164' ' ' MET . 38.2 pt -143.73 140.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.74 -162.67 27.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -148.45 158.18 43.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.26 -177.5 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.401 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -131.47 147.59 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HB3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -120.59 119.85 34.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -136.74 -177.76 4.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.8 140.69 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.47 15.36 62.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.679 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.99 143.05 37.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.728 0.299 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.452 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -104.33 117.1 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.452 HD13 ' O ' ' A' ' 7' ' ' PHE . 24.9 mm -128.18 139.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' CE1' ' A' ' 49' ' ' PHE . 21.7 mt -124.4 127.93 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -138.33 140.89 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.47 154.31 25.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.65 -162.63 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -144.25 161.88 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.57 106.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.4 114.25 4.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.689 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.75 139.83 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.664 0.269 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LEU . 21.2 m -141.54 140.4 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.436 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' A' ' 9' ' ' ILE . 32.8 m-85 -117.49 105.71 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.398 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.07 31.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 111.317 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.54 101.67 7.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.423 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 126.38 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.407 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 4.1 m-85 -137.99 97.27 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.995 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.13 -172.98 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.202 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -94.91 29.09 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.831 0.348 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -150.47 -36.5 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.699 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -91.48 146.46 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.032 0.444 . . . . 0.0 111.42 -179.254 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.43 117.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.16 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.78 132.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.54 143.04 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.877 HD21 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -120.49 137.52 54.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 95' ' ' LEU . 30.9 m -105.6 141.8 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.46 139.13 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.01 155.65 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 N--CA 1.464 -0.241 0 CA-C-O 120.744 0.227 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.458 ' HB ' HG23 ' A' ' 62' ' ' VAL . 31.2 m -112.16 130.53 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.877 HD22 HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -96.62 139.85 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 94' ' ' LEU . 4.4 mp -135.91 126.5 27.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.88 132.32 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 131.44 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.979 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -126.8 150.2 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 43.1 m-85 -119.48 79.95 21.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.81 -50.79 2.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.637 2.225 . . . . 0.0 112.144 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 30.64 6.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.91 138.86 14.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.44 49.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -127.08 -176.2 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.469 ' H ' HG22 ' A' ' 104' ' ' THR . 37.8 t30 -95.72 18.27 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -89.9 155.34 19.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.74 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.31 121.14 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.07 89.24 6.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.42 163.18 38.99 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 37.4 p90 -171.94 159.39 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.23 165.41 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.392 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.53 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -149.68 155.97 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.623 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 113' ' ' GLY . 4.4 mm? -122.95 146.95 47.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.09 131.2 10.54 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.808 0.337 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.22 141.63 15.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 144.18 43.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.43 134.48 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -174.17 -145.89 5.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -165.71 163.97 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -124.64 146.11 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.412 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 7.6 t80 -100.69 125.95 47.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.99 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 154' ' ' TYR . 8.4 mt -109.4 -25.25 10.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.19 -67.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.27 -30.53 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.411 ' CB ' HD13 ' A' ' 156' ' ' LEU . 4.2 m80 -110.5 29.72 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.675 ' C ' HD12 ' A' ' 161' ' ' LEU . . . 61.92 -166.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 160' ' ' ALA . 6.1 mp -122.26 130.69 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -99.05 116.21 30.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.1 147.1 23.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.73 133.27 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -136.8 137.55 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -178.73 156.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.446 ' N ' HG22 ' A' ' 166' ' ' VAL . 12.1 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.32 126.21 55.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 pt -149.9 145.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.37 -169.44 38.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -128.78 176.22 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.506 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -162.12 -177.81 35.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.6 154.58 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -86.79 134.27 33.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -139.76 154.98 47.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.85 126.26 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.85 15.5 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.733 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.57 135.02 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.47 136.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.682 HG23 ' HA ' ' A' ' 206' ' ' LYS . 26.4 mt -146.38 139.87 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -116.8 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.24 133.99 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.67 155.04 23.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.332 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.29 140.62 15.94 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.614 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.26 121.0 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 124.41 27.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.06 133.23 10.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.78 141.47 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.493 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 m -138.34 132.38 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.24 109.89 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.269 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -94.61 130.02 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.297 -179.539 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -114.28 100.86 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtt -61.06 131.01 49.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.0 97.3 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.005 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.8 -174.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.162 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -95.07 31.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.828 0.346 . . . . 0.0 110.564 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -150.43 -34.75 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.917 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 20.2 m95 -100.35 148.33 24.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.077 0.465 . . . . 0.0 111.708 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.06 112.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.07 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.6 142.27 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.332 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB3' HG22 ' A' ' 50' ' ' THR . 5.6 pt-20 -147.05 138.72 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 pp -106.4 134.83 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.39 155.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.259 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.86 119.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.09 162.73 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.813 0.256 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 t -133.2 135.81 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.9 mp -96.71 151.88 19.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.73 114.22 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.787 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 114' ' ' LEU . 2.0 mt -80.33 139.28 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -131.44 140.48 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -139.74 149.83 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -104.73 89.33 2.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.99 -45.03 2.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.554 2.169 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ttt -126.07 32.37 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.1 113.35 4.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -127.89 -170.85 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.1 18.28 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -84.2 154.11 23.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.72 -52.48 25.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -84.71 140.94 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -132.51 96.65 18.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 137.14 33.57 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.47 2.113 . . . . 0.0 112.222 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -123.78 158.09 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.62 136.26 6.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.6 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -153.36 -157.25 7.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -144.55 139.02 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.912 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.58 168.67 15.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.069 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.74 31.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.46 ' C ' HD12 ' A' ' 150' ' ' LEU . 2.6 tt0 -134.02 119.51 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 149' ' ' GLU . 9.8 mp -122.38 146.75 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.61 -175.98 35.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.19 161.16 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -119.76 136.69 54.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -141.2 100.94 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 130.23 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 156' ' ' LEU . 4.1 mp -111.73 -12.63 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.33 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 64.4 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.99 -30.15 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -109.09 33.75 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 205' ' ' TYR . . . 63.91 -170.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.85 128.27 55.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.433 ' CD2' ' HB3' ' A' ' 203' ' ' PHE . 8.9 m-85 -114.57 126.79 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -133.99 141.49 47.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.4 ptm -104.23 157.02 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -142.81 134.64 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -157.93 158.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.488 ' N ' HG22 ' A' ' 166' ' ' VAL . 9.2 p-90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.11 114.86 29.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.99 142.64 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.44 -168.74 18.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' A' ' 162' ' ' PHE . 28.9 p90 -161.88 166.94 25.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 175.99 -165.85 36.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 160' ' ' ALA . 0.6 OUTLIER -146.82 153.21 39.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.793 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.682 ' HA ' HG23 ' A' ' 8' ' ' ILE . 2.3 pttm -86.87 128.23 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 161.34 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -62.17 124.15 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.3 15.37 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.39 131.99 52.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' CE2' ' A' ' 51' ' ' TYR . 96.1 m-85 -96.87 125.21 41.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.43 146.3 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 pt -116.75 138.4 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.566 ' NH1' HG21 ' A' ' 50' ' ' THR . 3.7 mmt85 -140.79 136.1 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.53 149.63 19.88 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.85 -165.5 26.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -131.65 159.81 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.47 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -99.41 99.95 2.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.4 tt -106.32 129.27 54.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 61' ' ' LEU . 1.2 p -138.45 132.96 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.53 110.37 20.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 60' ' ' GLU . 71.7 p -96.99 132.85 42.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CE2' ' CE2' ' A' ' 7' ' ' PHE . 7.4 m-85 -115.53 102.57 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.59 129.78 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 21.1 t80 -138.1 97.32 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.59 -179.52 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.34 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.72 33.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 -36.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.617 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -100.02 145.09 28.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.45 110.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 96' ' ' LEU . 4.6 m -101.1 145.93 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 50' ' ' THR . 0.5 OUTLIER -129.79 133.33 46.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 48' ' ' THR . 3.8 mp -100.79 150.5 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.04 145.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.23 161.02 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.92 152.57 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.804 0.252 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -118.13 114.27 22.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -105.67 153.83 21.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.24 133.6 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.3 tp -80.97 148.0 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -146.28 134.32 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -118.5 128.95 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.95 110.89 4.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.5 -51.01 6.94 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.483 2.122 . . . . 0.0 112.179 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 mtm -114.2 31.15 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.18 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.12 45.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.558 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 p -137.85 171.36 14.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -95.24 18.29 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 t -76.52 158.8 30.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.94 25.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 128.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -113.4 74.57 2.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.98 163.17 35.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.6 2.2 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.26 143.77 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.86 165.8 28.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.566 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.16 -151.17 19.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.549 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.65 167.64 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -155.76 -151.44 5.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -69.16 157.1 53.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.548 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -147.1 140.19 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.91 125.13 30.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.7 152.46 20.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.53 102.87 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.33 133.55 34.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -142.66 122.28 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 43.5 ttp -78.56 128.87 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -36.04 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 77.99 -4.57 2.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.691 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.98 -47.42 9.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -138.83 -32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -173.58 -155.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 161' ' ' LEU . 4.9 mp -116.44 132.47 56.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 0.2 OUTLIER -95.57 136.76 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -135.13 141.89 46.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.67 162.3 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -141.59 112.23 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.2 p -129.23 142.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.888 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.2 ttt -124.02 142.69 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.92 120.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.71 -172.73 26.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.428 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 50.0 p90 -137.62 162.56 33.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.07 154.57 25.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -127.2 155.97 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -86.76 139.33 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.739 0.304 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.23 159.84 38.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.12 129.82 41.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.17 15.41 23.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.733 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.1 OUTLIER -91.55 169.56 10.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 0.0 110.79 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.41 123.45 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 206' ' ' LYS . 3.6 pt -135.47 120.83 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.002 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 pt -95.11 151.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -146.18 158.8 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.85 168.38 13.02 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.0 137.28 9.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.01 119.0 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.5 122.04 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.7 118.27 6.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.704 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 pp -113.05 131.15 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.719 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.7 m -137.05 132.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.212 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -121.23 104.64 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 60' ' ' GLU . 2.7 m -97.69 146.01 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.368 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.64 115.61 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 1.4 mtp -67.86 124.56 23.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -136.27 97.21 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.995 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.94 -173.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.23 30.77 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.78 0.324 . . . . 0.0 110.512 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -35.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -96.41 138.77 33.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.104 0.478 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 108.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.063 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.71 141.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.743 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.6 OUTLIER -147.0 151.51 37.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.63 123.52 43.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.823 HG23 HD21 ' A' ' 95' ' ' LEU . 21.6 t -100.88 141.51 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -159.4 126.75 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.03 163.7 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 55.6 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.806 0.253 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -72.22 134.96 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 tt -112.33 136.56 51.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.823 HD21 HG23 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -139.22 168.53 19.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.4 pp -130.28 134.43 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.81 152.02 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HE1' HD13 ' A' ' 96' ' ' LEU . 13.4 m-85 -133.23 127.03 32.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.487 ' CG ' ' CE2' ' A' ' 111' ' ' TYR . 3.8 p90 -135.58 79.52 47.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 -32.06 12.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.525 2.15 . . . . 0.0 112.369 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 tpp -104.16 31.87 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.83 98.15 2.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 106' ' ' SER . 7.3 t -103.86 -178.39 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.63 18.34 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.536 ' H ' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER -100.63 159.75 14.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.901 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.14 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -73.88 112.25 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.76 81.68 5.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.24 134.62 25.27 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.542 2.161 . . . . 0.0 112.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.487 ' CE2' ' CG ' ' A' ' 99' ' ' TYR . 9.5 m-85 -131.1 130.79 43.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.66 139.23 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.54 126.76 6.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.01 129.39 21.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.1 149.55 20.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.862 0.363 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -102.0 140.24 14.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -158.8 152.4 23.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 117.21 33.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.23 116.78 5.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.56 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.36 122.76 44.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.775 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -109.52 142.07 41.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.64 113.36 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 13.9 ttt -85.65 118.47 25.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 159' ' ' HIS . 4.6 mt -111.73 -2.89 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 65.34 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.774 0.321 . . . . 0.0 111.473 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -81.67 -29.68 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.455 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.444 ' HB3' HD13 ' A' ' 156' ' ' LEU . 6.1 t-80 -96.63 33.82 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.222 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 205' ' ' TYR . . . 55.51 -158.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.038 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.67 145.49 43.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.2 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.83 123.31 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 135.37 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -131.65 118.07 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.24 144.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.792 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 3.3 ttt -101.18 115.8 31.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.3 mt -134.86 139.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -150.32 -166.97 13.96 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.583 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -123.64 -179.18 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.31 143.98 11.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 160' ' ' ALA . 1.9 m-85 -148.06 138.75 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.508 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -110.82 140.38 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.3 146.95 51.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.98 130.33 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.26 15.45 35.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.646 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.15 152.14 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.812 0.339 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.49 131.51 56.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 206' ' ' LYS . 25.1 mt -134.08 147.82 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -120.62 150.76 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.95 145.4 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.61 151.18 23.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.41 -142.18 3.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.53 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -133.13 148.5 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 200' ' ' MET . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.21 138.84 42.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.2 115.81 4.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.573 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.5 151.81 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -145.91 147.65 31.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.24 106.66 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' OE1' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.82 135.52 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.997 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -114.69 103.65 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 122.44 19.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -134.83 97.33 3.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.28 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.73 -175.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.51 35.85 1.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.868 0.366 . . . . 0.0 110.44 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -150.17 -37.2 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.517 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 2.1 m0 -97.27 141.76 29.98 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.878 0.37 . . . . 0.0 111.324 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.78 100.53 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.306 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.71 139.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.156 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.642 ' OE1' HG23 ' A' ' 50' ' ' THR . 4.1 tt0 -124.02 141.19 52.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 92' ' ' PRO . 8.0 tt -104.3 147.37 27.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 t -127.81 141.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.91 170.17 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.19 163.67 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 61' ' ' LEU . 19.8 Cg_exo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.833 0.264 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 p -90.76 137.02 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 155.48 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.656 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.3 mt -135.0 124.74 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.14 129.05 34.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -122.93 153.41 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.6 138.45 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 99' ' ' TYR . 17.4 p90 -136.74 91.17 15.8 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.95 -28.11 13.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.51 2.14 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.69 -27.57 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.28 43.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -135.12 -170.78 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.435 ' H ' HG22 ' A' ' 104' ' ' THR . 42.5 m-20 -93.6 18.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.311 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -73.82 151.74 40.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 -38.58 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -91.38 126.81 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -121.91 81.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 57.5 Cg_endo -71.1 159.44 52.26 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.369 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -172.83 173.39 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' HD12 ' A' ' 150' ' ' LEU . . . 162.96 162.53 13.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.95 -120.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.52 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -141.3 141.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.656 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -111.86 173.38 15.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.114 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.21 148.77 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.567 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 142.65 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.455 HD12 ' HA3' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -137.8 146.37 43.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -152.93 -179.49 28.51 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 18.3 m-85 -132.97 123.59 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -121.74 130.74 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 162' ' ' PHE . 17.5 p90 -150.75 148.35 28.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 38.2 mtt -74.54 133.11 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 162' ' ' PHE . 15.8 mt -101.14 -10.58 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.5 m120 69.44 -67.07 0.23 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.31 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -39.74 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 32.03 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.79 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 167.07 22.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.061 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.565 ' HD2' HD11 ' A' ' 156' ' ' LEU . 13.1 t80 -130.45 145.46 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.447 ' N ' ' CD1' ' A' ' 162' ' ' PHE . 10.0 t-20 -142.05 138.99 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 ttp -130.19 156.96 43.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 139.45 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.83 144.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.695 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 13.0 mtt -148.84 115.89 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.79 136.29 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -174.2 -164.08 28.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.7 164.99 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.64 -172.21 18.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.622 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -155.14 127.12 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.544 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.1 tttp -91.15 129.52 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 75.2 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -158.48 179.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 133.17 47.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.97 13.2 11.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.712 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.07 161.32 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.78 0.324 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -148.47 145.41 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.503 HG23 ' HA ' ' A' ' 206' ' ' LYS . 6.0 mt -123.92 149.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.21 106.67 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.64 168.0 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.8 -130.84 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -142.15 149.7 40.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 117.1 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.759 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.62 138.97 23.9 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.597 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -134.96 138.81 44.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.707 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -143.53 134.5 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.048 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.07 125.96 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -106.33 139.21 41.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.43 100.88 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.516 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.59 120.08 16.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 t80 -137.96 97.1 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.114 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.65 -176.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.264 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.66 33.33 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.891 0.377 . . . . 0.0 110.401 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 -36.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 3.5 m0 -96.31 142.78 28.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.503 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.4 134.9 3.57 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.063 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' CD2' ' A' ' 61' ' ' LEU . 12.0 t -107.07 142.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.374 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -139.57 111.55 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.73 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' CD2' HG12 ' A' ' 59' ' ' VAL . 3.5 mm? -101.74 150.38 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.41 131.4 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -144.41 127.87 16.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.32 163.53 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 N--CA 1.466 -0.132 0 CA-C-O 120.835 0.265 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.48 126.16 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.46 134.41 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.01 129.82 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.57 138.08 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.71 118.41 36.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.56 148.8 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -122.25 77.78 43.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.13 -51.0 11.21 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.0 mmt -115.11 32.47 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.48 98.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.5 52.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -118.21 -177.65 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -96.98 18.26 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -82.43 144.1 30.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -58.1 10.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -76.69 144.67 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.09 88.42 26.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.69 173.21 8.29 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.777 2.318 . . . . 0.0 112.153 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 38.9 p90 -160.38 130.03 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.23 129.59 20.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.48 124.6 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 129.69 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.532 ' CA ' ' HB3' ' A' ' 147' ' ' ALA . . . -103.84 145.66 16.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.097 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.532 ' HB3' ' CA ' ' A' ' 115' ' ' GLY . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.45 117.86 4.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -134.3 144.79 48.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 132.31 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -126.87 166.49 19.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -136.77 114.32 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.08 121.81 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.781 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.85 111.02 12.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.695 ' HB3' HD22 ' A' ' 161' ' ' LEU . 9.2 mtm -102.76 135.0 45.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mp -103.27 -37.16 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 76.2 -1.17 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -85.98 -45.09 11.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.865 0.364 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.15 -32.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.392 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -175.57 -166.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 155' ' ' MET . 4.3 mt -119.98 132.54 55.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.17 138.96 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.32 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.6 mtt -105.29 151.04 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -148.56 133.0 17.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.66 161.11 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.852 0.358 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.691 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 22.4 mtt -111.84 124.09 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.64 139.92 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.36 159.75 26.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -121.87 179.73 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -177.45 -156.73 16.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.643 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.42 135.96 29.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.503 ' HA ' HG23 ' A' ' 8' ' ' ILE . 36.0 ttmt -92.35 140.85 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -108.82 162.08 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 149.07 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.76 139.07 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.64 15.39 53.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.699 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.48 146.53 50.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -108.47 121.52 45.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 52' ' ' MET . 3.9 mp -127.99 137.65 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 pt -102.23 153.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.02 137.51 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.02 156.84 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.0 -161.55 16.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -131.48 138.45 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.14 128.65 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 m -92.25 138.37 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 16' ' ' VAL . 11.4 p -177.37 64.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -148.28 136.42 11.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 102.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.432 2.088 . . . . 0.0 112.243 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 148.94 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -103.09 -53.83 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -92.98 153.3 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 m -132.26 112.23 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -70.23 95.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.95 83.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mp -135.63 -66.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.62 135.22 41.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -158.43 76.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -139.48 31.66 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.61 105.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.28 85.07 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.39 92.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.48 110.01 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -85.22 -56.94 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.57 -143.37 15.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.87 117.54 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -90.36 -65.54 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.81 -70.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -148.77 156.15 41.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -121.52 -42.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.58 119.22 28.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.11 -56.97 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -157.74 31.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -88.82 164.15 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 134.2 46.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 112.08 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.2 111.6 4.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.653 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.2 127.44 55.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.623 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.6 p -144.92 151.44 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.141 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 61' ' ' LEU . 36.1 p90 -132.96 117.39 17.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.52 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 60' ' ' GLU . 4.0 m -94.82 140.02 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.44 104.2 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.542 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.493 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.4 ttt -64.72 123.37 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -137.91 97.29 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.154 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.04 -175.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 32.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -34.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.665 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -90.57 149.19 22.24 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.987 0.422 . . . . 0.0 111.422 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.34 95.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.69 122.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.362 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.649 ' HB3' HG23 ' A' ' 50' ' ' THR . 2.0 pt-20 -132.57 147.97 52.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -108.19 135.14 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 48' ' ' THR . 13.5 m -105.26 139.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.67 146.5 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.97 163.61 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 t -140.98 92.6 8.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.87 168.68 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -119.81 124.52 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -161.43 100.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -129.78 155.37 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -115.02 167.72 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 72' ' ' ASP . 11.9 p -72.09 -44.9 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' N ' HG13 ' A' ' 71' ' ' VAL . 2.2 t70 59.45 -177.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 74' ' ' LYS . 11.4 m -155.66 -47.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -178.69 131.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.1 80.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -79.94 -178.08 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.87 74.56 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.86 83.49 0.71 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.617 2.211 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.49 -72.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.96 143.0 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.6 109.35 17.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.4 -99.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.53 148.69 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -91.96 -19.52 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 84' ' ' LEU . . . 67.46 134.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.087 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -126.33 157.39 38.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.567 ' O ' HG22 ' A' ' 87' ' ' ILE . 3.2 mt -126.91 44.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -144.01 37.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 142.05 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.76 131.36 22.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.29 153.94 36.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.5 2.133 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.14 145.63 49.76 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.46 115.47 22.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.67 140.82 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.99 118.38 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.424 HD12 ' HE2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -80.37 119.2 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.71 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.39 141.49 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' HE2' HD12 ' A' ' 96' ' ' LEU . 76.0 m-85 -128.14 150.13 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.78 80.97 14.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.93 -51.06 5.16 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.651 2.234 . . . . 0.0 112.259 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.9 30.96 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.43 131.21 10.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.12 37.84 0.91 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.9 t -122.86 175.18 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -95.43 18.37 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -77.99 147.52 34.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.71 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -124.09 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -143.75 97.77 5.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.435 ' HG3' ' CE1' ' A' ' 152' ' ' PHE . 23.9 Cg_exo -63.87 171.12 7.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.564 2.176 . . . . 0.0 112.229 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 10.2 p90 -163.29 155.2 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.0 129.36 9.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.3 155.79 20.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.496 HD12 ' CA ' ' A' ' 148' ' ' GLY . 0.7 OUTLIER -148.15 129.59 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.17 164.48 13.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m -114.66 138.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -117.34 109.01 16.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.02 171.48 7.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.676 HG23 ' HZ2' ' A' ' 144' ' ' TRP . 0.8 OUTLIER -82.25 178.48 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.62 38.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.78 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 60.21 161.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.4 141.96 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.82 -15.73 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.245 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.53 -50.46 67.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -31.55 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.83 -55.28 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.9 p -78.11 100.73 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -153.59 95.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -81.7 87.08 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -65.68 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -172.6 80.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 60.28 87.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -83.09 88.56 1.5 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -77.11 90.31 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.18 95.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 115.65 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -101.65 -54.03 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 131.46 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.1 mp -89.04 -55.0 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -129.99 140.82 50.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -119.77 72.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.76 35.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.676 ' HZ2' HG23 ' A' ' 119' ' ' THR . 0.0 OUTLIER -131.44 144.22 51.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 102.83 -105.26 2.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.64 152.62 45.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -173.22 76.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.496 ' CA ' HD12 ' A' ' 114' ' ' LEU . . . -93.37 169.9 30.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.44 142.41 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.35 152.49 27.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -142.77 161.11 27.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.53 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -124.18 113.89 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -95.41 129.3 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -119.11 118.98 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.423 ' HA ' HD13 ' A' ' 161' ' ' LEU . 8.1 mtt -86.63 116.23 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.1 mt -111.42 -19.37 12.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.15 -69.92 0.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.35 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.43 -27.66 31.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.537 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -99.28 26.76 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.182 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 64.43 -158.83 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 155' ' ' MET . 3.8 mm? -116.69 118.3 32.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.62 118.05 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -119.32 154.83 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.79 158.86 43.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.17 125.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 167' ' ' TRP . 21.4 t -136.3 158.25 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.464 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.2 OUTLIER -114.84 101.49 9.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -105.28 -31.71 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -170.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.48 24.83 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -115.51 -27.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.524 ' O ' HG23 ' A' ' 173' ' ' THR . 4.0 t70 -60.05 114.55 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 172' ' ' ASP . 17.4 p -160.0 154.78 24.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -44.4 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.17 158.68 19.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.7 m -147.89 -178.22 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 178' ' ' ASN . 4.5 mt -123.35 154.07 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 177' ' ' ILE . 41.0 t-20 -77.04 127.81 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -148.59 149.59 21.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.97 110.41 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.611 2.208 . . . . 0.0 112.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.99 90.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.45 98.88 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.27 -54.45 2.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 103.91 -67.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.55 142.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -98.64 30.93 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.08 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 25.5 p -140.7 34.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.44 125.99 20.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 190' ' ' VAL . 5.1 m -62.99 83.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -40.83 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 30.9 m -133.22 31.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -97.18 39.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 195' ' ' ASP . 12.2 p -173.31 -41.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 194' ' ' VAL . 6.1 t0 -77.94 135.38 63.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.14 148.48 34.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -64.26 -64.66 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.0 m -133.1 140.72 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.62 122.71 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.42 120.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.38 127.47 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.38 -163.1 15.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -123.92 173.9 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.17 173.63 30.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.97 139.6 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -93.61 128.0 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 207' ' ' PHE . . . . . 0.451 ' O ' HD22 ' A' ' 208' ' ' LEU . 59.4 t80 -110.64 144.24 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 207' ' ' PHE . 1.0 OUTLIER -130.65 161.92 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.765 0.316 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 16.1 p80 -83.78 93.07 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -133.9 162.05 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.73 134.42 47.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.56 15.62 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.744 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.98 143.06 39.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -103.48 122.62 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 7' ' ' PHE . 22.1 mm -139.44 142.56 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.53 143.58 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.24 135.66 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.86 150.61 18.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.42 156.68 22.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.542 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.33 141.03 26.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 136.87 32.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -92.63 129.01 38.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.9 m -150.39 31.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.38 130.8 50.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.94 134.14 19.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.409 2.073 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.83 -34.35 18.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -79.49 -38.73 33.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -75.46 136.34 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.4 p -132.39 -53.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.61 116.34 20.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 60.47 159.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.9 pt -67.31 175.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -80.2 138.53 36.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.5 -70.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.86 130.14 40.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.33 133.67 3.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.67 108.51 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -102.84 93.45 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -112.49 119.42 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -46.29 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.55 -51.7 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -141.04 -47.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -112.36 169.03 9.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.25 31.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 t -79.4 119.74 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 m -104.09 -30.13 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.73 154.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -54.28 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 60.33 84.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 t -132.48 126.34 32.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -146.24 154.41 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.68 146.71 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.21 105.13 2.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.14 127.72 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 62' ' ' VAL . 61.7 p -136.49 148.21 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 111.264 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.77 109.81 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.451 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -94.86 127.03 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 111.396 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' VAL . 30.7 m-85 -118.24 100.77 7.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.329 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mtt -65.0 135.14 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.437 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.4 m-85 -136.95 97.18 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 68.85 -177.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.006 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.73 27.86 2.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -35.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.778 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -94.84 158.91 15.29 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.041 0.448 . . . . 0.0 111.51 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 158.08 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' HB2' ' A' ' 51' ' ' TYR . 8.6 m -148.7 138.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.944 0.402 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.77 150.34 51.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -116.99 150.39 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 95' ' ' LEU . 27.6 m -109.17 142.05 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.75 128.45 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.23 141.26 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.4 p -129.77 101.16 18.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.44 158.87 55.03 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.451 2.1 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -104.04 112.37 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.25 159.05 43.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.46 -47.84 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.46 69.27 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.87 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 -45.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.35 -47.63 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 117.75 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.34 -104.33 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 76' ' ' LEU . 4.4 mm? -97.01 87.93 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.11 168.69 12.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 168.43 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.536 2.157 . . . . 0.0 112.384 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 140.23 15.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.24 168.02 21.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.355 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 129.64 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.48 151.96 5.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -65.46 -47.13 77.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.8 tt 61.13 113.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.63 151.23 38.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.32 153.8 42.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -132.12 -61.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -118.83 123.81 45.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.03 159.95 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 137.21 75.14 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.794 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.2 148.63 31.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.518 2.145 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.38 127.68 10.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.536 2.158 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.7 m -72.92 127.75 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.33 152.04 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.781 HD21 HD12 ' A' ' 146' ' ' LEU . 3.8 mp -146.3 157.76 43.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.0 161.44 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -141.06 123.04 15.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -135.3 150.31 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -102.53 104.72 39.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.05 -51.05 2.42 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 31.08 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.65 152.72 25.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.92 28.07 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 106' ' ' SER . 8.7 t -115.38 -173.78 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -95.66 18.3 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.737 ' H ' HG23 ' A' ' 104' ' ' THR . 59.2 p -81.52 158.79 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.77 -59.38 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -75.84 143.49 41.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -128.52 107.29 19.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.84 174.05 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.413 2.075 . . . . 0.0 112.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 101.05 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.28 97.7 2.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.32 141.46 15.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -130.64 129.48 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.87 135.62 12.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.39 128.19 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.331 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -150.16 121.31 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -141.24 174.3 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 m -120.12 117.48 28.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 121' ' ' PHE . 0.2 OUTLIER 60.45 174.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.465 ' H ' HG22 ' A' ' 120' ' ' THR . 36.6 t80 -114.29 102.02 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -74.81 118.48 17.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -163.55 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -31.36 12.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.76 -30.05 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.49 -31.31 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.9 -33.55 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.2 m -105.18 99.76 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.58 140.65 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -115.39 80.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm 60.32 163.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -99.61 40.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -114.32 156.87 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.69 -156.48 11.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.22 109.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.25 114.82 21.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -63.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.4 mtt -146.64 176.37 9.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.07 88.1 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -108.63 115.46 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -143.07 123.04 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -93.91 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.9 t -170.9 173.52 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -97.16 160.33 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.61 18.98 56.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.761 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.781 HD12 HD21 ' A' ' 95' ' ' LEU . 12.0 mt 55.77 -172.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 111.05 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.529 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -147.87 -57.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.14 132.01 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.75 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.74 122.25 47.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.72 153.32 16.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -123.07 99.44 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.49 143.42 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -154.04 120.43 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.0 ttt -64.63 130.64 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.679 HD22 ' CG ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -111.75 -19.97 12.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.285 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.2 -69.52 0.14 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.727 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.679 ' CG ' HD22 ' A' ' 156' ' ' LEU . 18.7 m170 -105.41 30.19 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.67 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 151.86 41.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -144.43 126.75 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.588 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -143.12 171.7 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.9 ttt -131.51 160.13 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.678 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -128.61 137.04 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.77 135.97 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 98.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -64.97 -38.84 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.3 ttp -98.12 139.92 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.3 143.36 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 9.3 pt -98.39 30.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -129.41 -51.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 30.0 m 62.58 147.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.21 -40.77 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -105.01 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.3 p -126.79 -45.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.8 pt -73.21 154.41 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.7 127.42 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -148.34 74.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.35 90.71 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.577 2.185 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.1 m -111.36 -33.29 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.15 86.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 183' ' ' LEU . 4.9 mp -85.29 -177.36 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -61.95 -152.67 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 28.8 t -127.5 -53.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 28.3 m120 60.87 163.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.23 176.28 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 5.0 p 49.67 87.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.72 153.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.05 178.68 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -122.78 -51.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 -66.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -156.54 -46.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.1 p -168.13 136.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.61 164.33 15.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.87 148.07 75.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.591 2.194 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -118.81 94.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.58 118.51 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -129.7 135.43 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.863 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.9 ttt -107.66 114.8 29.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.86 133.42 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.67 176.62 32.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.611 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -127.87 175.8 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.529 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -135.4 171.35 22.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.7 159.75 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 123.76 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.68 152.25 22.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.39 149.44 36.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.867 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.817 0.341 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -130.77 138.75 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -162.04 163.28 28.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.03 121.38 29.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.51 15.4 23.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.684 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.96 145.49 48.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' O ' HD13 ' A' ' 8' ' ' ILE . 81.5 m-85 -100.02 121.61 41.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 7' ' ' PHE . 16.6 mm -126.03 130.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.62 142.91 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -154.71 156.69 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.36 145.39 9.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.17 -137.19 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -147.68 161.9 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB1' ' CG1' ' A' ' 198' ' ' VAL . . . -116.58 130.68 56.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.14 117.98 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 17' ' ' ASP . 17.7 t -100.82 159.04 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' N ' HG12 ' A' ' 16' ' ' VAL . 2.1 m-20 -139.81 75.47 30.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.82 -45.72 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.554 2.169 . . . . 0.0 112.259 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.74 170.65 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.46 -37.12 84.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -150.08 -57.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 60.83 49.46 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 p -166.06 156.4 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.44 128.73 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 25' ' ' ILE . 22.2 mt -97.64 38.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.91 163.0 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.31 -169.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.78 173.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.17 -50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.69 38.24 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 167.39 20.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 145.0 56.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 60.9 112.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG22 ' A' ' 35' ' ' THR . . . 81.48 155.11 13.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 34' ' ' GLY . 15.4 t 44.91 36.75 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.807 0.337 . . . . 0.0 111.404 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 141.79 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.01 -63.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 m 60.4 77.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.73 -66.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -101.75 31.69 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -100.2 -31.56 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.45 130.36 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.7 t -112.82 161.33 17.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -95.54 120.42 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HB3' HG23 ' A' ' 65' ' ' THR . 15.5 tp -65.94 124.68 23.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.19 112.9 3.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.5 137.75 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.322 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 61' ' ' LEU . 62.9 m -136.33 136.96 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.078 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -127.7 108.07 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.692 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -104.13 128.34 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' HB2' HG23 ' A' ' 59' ' ' VAL . 2.6 m-85 -105.87 100.87 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 131.04 49.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.92 97.23 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.183 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.87 -172.62 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.286 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.0 31.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.497 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -150.4 -37.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 5.1 m0 -94.8 145.99 24.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.978 0.418 . . . . 0.0 111.469 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.87 128.85 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.355 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 51' ' ' TYR . 20.2 m -120.88 122.87 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -118.64 139.66 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 48' ' ' THR . 3.7 mp -107.85 147.3 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.62 124.94 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.39 149.85 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.55 161.51 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.3 p -79.95 131.37 63.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.67 178.06 7.24 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.461 2.107 . . . . 0.0 112.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.66 31.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -67.92 155.87 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -114.94 -65.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -142.79 155.35 44.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 71' ' ' VAL . 10.9 p -173.19 112.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -147.96 122.8 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.84 -30.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -59.08 114.36 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.35 -96.71 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.07 124.46 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.55 153.94 8.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.429 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 128.93 16.58 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.593 2.196 . . . . 0.0 112.256 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -158.2 39.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.5 pt? -112.86 140.13 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -112.45 140.74 46.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.48 159.15 18.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -119.4 172.29 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 -171.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.51 -175.15 4.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.55 95.49 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.7 pt -115.48 152.72 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HG2' HG11 ' A' ' 71' ' ' VAL . 3.9 tptt 60.17 103.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -132.41 166.81 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.39 95.01 49.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.32 130.05 27.7 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.152 . . . . 0.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.64 147.44 51.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.465 2.11 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.72 114.18 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 tp -106.67 128.02 53.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 96' ' ' LEU . 1.4 tt -114.82 128.31 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 116' ' ' VAL . 3.5 tp -80.32 149.06 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -134.96 131.74 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -130.58 150.18 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 111' ' ' TYR . 4.1 m-85 -107.38 76.04 0.49 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.27 -43.17 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.2 ptp -126.33 33.31 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.7 130.42 10.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.13 57.76 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.5 -178.61 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -96.52 18.43 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -60.9 143.36 55.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.93 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -122.02 127.98 50.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -105.24 88.12 2.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 134.89 30.47 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 99' ' ' TYR . 29.0 m-85 -125.14 139.56 53.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.62 146.45 48.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.516 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.52 119.84 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 114' ' ' LEU . 13.7 mt -131.17 129.59 41.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.84 117.57 7.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 96' ' ' LEU . 12.1 p -142.75 135.32 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -147.5 142.92 27.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -113.79 171.85 7.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.2 m -124.78 -68.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 42.8 p -108.9 112.65 25.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.07 79.62 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.54 20.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.21 29.12 4.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -33.67 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -37.94 69.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.6 82.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.72 177.78 4.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.9 117.8 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -142.52 145.55 33.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.83 33.08 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.02 41.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -104.6 146.76 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.19 -97.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER 61.23 171.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.8 m -132.02 -51.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 128.18 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.9 mmt -67.58 160.62 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt 60.28 106.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -146.22 -47.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -85.37 56.7 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -173.11 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.0 t -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -127.57 142.84 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.88 78.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -159.13 177.84 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.19 -58.23 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -161.34 152.09 22.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.2 158.1 21.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.93 129.26 55.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.15 159.35 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.67 100.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.92 134.13 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -147.17 122.61 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 5.6 ttt -71.11 124.16 23.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -105.75 -4.09 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 64.81 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.72 -42.53 88.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.572 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -98.7 28.46 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.63 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 160' ' ' ALA . 2.7 mp -148.9 167.47 25.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.941 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.35 133.93 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.11 142.57 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 62.3 mtp -142.81 142.69 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.73 134.13 48.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.77 160.42 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.02 125.34 31.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -135.37 147.52 49.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.95 123.19 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.81 -176.99 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.9 mp 63.23 144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.99 102.85 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 11.4 m -83.71 -67.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.17 67.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 57.49 72.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.16 79.2 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 18.8 tt -81.45 148.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -88.44 137.94 31.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -122.24 -86.35 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.07 63.04 3.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.61 2.206 . . . . 0.0 112.252 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 4.7 m -167.71 -50.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -131.77 128.85 39.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.4 172.84 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 98.36 171.91 32.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.61 100.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -70.76 93.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -91.39 -50.79 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 44.7 m 60.44 103.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.74 -45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.3 138.04 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.18 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.18 -60.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.9 -59.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.04 -67.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 7.0 m -141.99 132.24 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 106.1 27.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.8 140.66 43.09 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.375 2.05 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -99.68 48.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 199' ' ' TYR . 21.7 t -95.12 156.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.435 ' N ' HG12 ' A' ' 198' ' ' VAL . 53.8 m-85 -129.46 169.77 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 41.8 mtp -126.77 137.12 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 200' ' ' MET . 2.9 pt -157.17 133.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.38 -173.31 42.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.557 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -121.8 166.9 13.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.705 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -143.77 -167.61 11.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.65 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.539 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -157.7 122.58 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.011 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HG3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -89.61 130.39 35.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 mp -125.79 164.87 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.823 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 mmt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -134.65 135.4 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -152.88 -173.18 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 53' ' ' PHE . . . -70.24 115.49 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.48 9.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.772 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.51 123.93 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.958 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' HD13 ' A' ' 8' ' ' ILE . 31.9 t80 -115.07 137.98 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 7' ' ' PHE . 12.0 mm -139.27 146.16 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.74 121.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.91 138.14 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.78 112.93 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.42 -140.11 2.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.572 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -139.29 145.42 39.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 200' ' ' MET . . . -135.53 131.58 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.6 120.78 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 198' ' ' VAL . 21.5 t -136.86 -56.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.31 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.37 141.8 47.85 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 112.255 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 60.82 112.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -62.88 -52.48 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -166.04 127.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t 60.31 106.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -76.17 -33.45 59.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.3 147.2 31.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 pt -61.83 99.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 177.21 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.81 150.88 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.39 158.65 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.52 116.79 1.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.7 31.37 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.3 137.14 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.79 131.61 24.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -89.74 -50.93 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.41 -132.37 4.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 t -158.31 78.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.58 160.62 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.07 92.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.07 84.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.03 -40.54 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 60.3 79.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -75.7 -41.85 52.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.51 122.45 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.19 168.82 9.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -120.06 163.86 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -81.62 102.58 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.62 114.21 5.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 45' ' ' LEU . 3.6 mp -117.42 127.57 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.4 m -146.0 144.69 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -113.08 125.48 54.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.76 121.95 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -136.64 103.09 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ptp -117.16 158.0 24.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.934 0.397 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -115.32 97.32 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.806 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 70.0 -169.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.73 45.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.09 -45.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -95.53 159.21 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.52 141.14 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.18 141.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 48' ' ' THR . 23.8 tt0 -146.95 151.56 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 111.382 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -130.02 125.0 34.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.665 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.421 ' HA ' HG23 ' A' ' 48' ' ' THR . 24.7 t -100.83 153.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.963 0.411 . . . . 0.0 111.352 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -163.83 124.28 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.69 163.64 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.271 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.427 HG22 ' CE2' ' A' ' 67' ' ' PHE . 37.7 m -125.9 89.38 52.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.73 143.93 27.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.575 2.183 . . . . 0.0 112.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' HG22 ' A' ' 65' ' ' THR . 13.7 m-85 -151.06 74.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -173.43 148.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.05 156.11 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -55.78 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.6 m 41.47 78.68 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.808 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.58 177.23 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG22 ' HD3' ' A' ' 74' ' ' LYS . 9.8 p -90.18 -25.66 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HD3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -156.89 -45.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.886 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.97 69.96 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 151.38 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.61 139.44 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.39 -30.77 7.95 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.511 2.141 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.76 42.76 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -148.65 -54.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -88.6 137.87 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.55 -179.86 24.64 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -112.38 129.64 56.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 85' ' ' ALA . 1.5 tt 61.07 168.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.618 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -57.71 171.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.27 121.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.06 97.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -172.89 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.1 120.13 38.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.24 96.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.7 Cg_endo -68.2 128.41 17.47 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.476 2.117 . . . . 0.0 112.275 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 31.3 Cg_exo -59.11 165.19 9.15 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.448 2.098 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 133.15 47.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -108.7 123.38 48.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -122.6 130.31 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.755 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.95 129.12 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -111.89 141.18 45.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -149.55 133.97 17.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -141.28 94.63 7.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.6 -47.15 17.29 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.566 2.178 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.2 mtp -112.57 33.4 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.24 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.12 124.31 8.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.67 49.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 p -97.22 -170.82 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -95.11 18.37 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -94.9 174.36 7.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.57 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -76.62 117.06 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -113.32 110.61 50.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.04 137.19 40.25 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.425 2.084 . . . . 0.0 112.231 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -138.41 122.55 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.97 150.63 21.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 95' ' ' LEU . 2.4 tt -144.76 137.67 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.67 129.45 9.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.557 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 144' ' ' TRP . 21.5 t -124.06 138.98 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -129.76 122.69 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.56 110.55 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.5 p -119.98 153.17 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 p -137.88 124.73 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.6 -179.5 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -156.88 67.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -115.25 -38.57 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 -31.71 17.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -57.28 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -31.17 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.44 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.267 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.54 82.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -124.76 -44.48 1.95 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -110.96 140.69 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -118.03 -43.48 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.29 82.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -75.28 -37.04 61.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 173.59 144.89 4.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.24 -43.67 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.4 m -136.14 143.22 44.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 103.57 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.3 mtm -121.82 -41.44 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.23 175.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 mp 60.14 177.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -126.28 152.95 45.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -98.93 31.66 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.1 t -92.94 117.98 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.437 ' HB2' HG13 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -75.1 159.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -167.27 84.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -34.72 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.53 165.63 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.55 168.65 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.592 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -157.0 146.67 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.93 144.75 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.73 137.5 9.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -116.53 133.94 55.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 113.14 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -109.07 105.64 15.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.547 ' HA ' HD13 ' A' ' 161' ' ' LEU . 7.2 mtm -71.46 122.85 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.3 OUTLIER -111.5 -23.66 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.57 -69.67 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.88 -32.28 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.517 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.2 OUTLIER -108.95 30.7 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.573 ' C ' HD22 ' A' ' 161' ' ' LEU . . . 66.98 -145.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.795 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 160' ' ' ALA . 3.7 mm? -116.38 139.37 50.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.809 0.338 . . . . 0.0 110.645 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.68 120.73 36.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.013 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -110.58 123.5 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.8 mtt -116.93 155.12 29.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -151.13 103.67 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.34 120.95 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.233 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -76.08 139.49 41.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 61.09 107.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 5.6 tpp -177.06 108.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -176.12 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.8 mp -137.27 -53.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -154.82 156.34 36.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.1 p -126.21 121.17 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -131.79 35.18 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -71.79 153.39 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 18.8 p -177.24 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.56 136.41 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.57 153.77 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -142.29 -75.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.39 -167.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.634 2.223 . . . . 0.0 112.295 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 54.1 p -90.57 -47.77 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.02 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.56 152.24 49.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -163.9 -108.02 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 186' ' ' ASN . 11.2 p -111.16 -45.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.078 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.49 ' N ' HG13 ' A' ' 185' ' ' VAL . 1.5 m-80 58.13 -174.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 91.43 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 75.5 p -122.71 -48.95 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 32.1 mttt 60.1 -173.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.61 -36.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.77 -66.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 194' ' ' VAL . 8.8 m -147.66 -47.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 192' ' ' VAL . 2.6 m-20 60.88 29.54 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 192' ' ' VAL . 21.8 t -141.79 145.98 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -88.25 145.2 35.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.47 -170.67 0.61 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.595 2.197 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -156.8 -52.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 16' ' ' VAL . 18.5 m -112.98 127.8 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -140.17 134.93 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.563 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.7 mtt -115.07 123.41 48.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.48 142.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.0 -162.64 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 83.7 m-85 -121.62 175.7 6.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.738 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.54 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.38 131.46 4.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.602 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' ILE . 62.9 m-85 -116.15 138.02 51.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 8' ' ' ILE . 1.1 mttm -107.63 140.9 39.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -89.94 153.74 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.19 127.55 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.906 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -116.8 91.21 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -139.11 -178.41 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.77 127.23 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.64 15.36 8.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.703 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 123.68 25.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' OH ' ' A' ' 51' ' ' TYR . 48.4 m-85 -103.54 123.53 47.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -140.61 149.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 49' ' ' PHE . 7.1 tp -111.66 144.02 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -133.65 146.14 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.8 159.0 31.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.03 -142.44 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.554 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HG22 ' A' ' 43' ' ' THR . 65.3 t80 -143.85 162.0 37.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 110.765 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.42 129.78 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.4 p -91.63 139.27 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 m -139.73 178.58 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.3 82.4 18.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 -36.12 11.31 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.279 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.41 90.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -68.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -99.94 124.3 45.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 158.97 17.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -80.46 125.77 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.78 156.48 22.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 pt -108.11 110.84 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 87.6 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.75 26.45 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.5 143.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.43 75.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.53 78.24 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -109.1 82.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.29 76.26 2.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 59.5 172.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.55 -171.24 43.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.29 -69.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.057 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 175.1 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 60.21 75.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.9 m -100.02 117.8 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.14 -33.42 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.23 114.68 19.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -96.92 -23.96 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.64 93.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 1.9 p -108.33 130.1 55.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 19.0 mt-30 -77.13 118.4 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.49 109.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 109.95 3.09 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.604 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 45' ' ' LEU . 78.7 mt -116.08 127.54 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.536 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 61' ' ' LEU . 87.2 m -147.45 140.47 25.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.22 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 9' ' ' ILE . 88.8 m-85 -120.81 115.4 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 97' ' ' GLN . 38.4 m -103.39 129.86 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' OH ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 t80 -111.59 120.02 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.579 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 127.46 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.64 97.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.062 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 71.53 -176.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.235 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.48 29.14 2.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -150.46 -36.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.678 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -93.7 146.31 23.94 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.005 0.431 . . . . 0.0 111.584 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.19 160.2 31.46 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.262 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.57 146.12 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 0.0 111.22 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -138.63 121.48 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -125.45 132.78 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 95' ' ' LEU . 21.5 t -110.6 151.78 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.24 126.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 44' ' ' GLN . . . -134.29 163.66 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -111.31 98.14 38.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.63 -61.5 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.525 2.15 . . . . 0.0 112.392 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -90.41 169.31 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.34 89.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 141.83 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.31 112.81 22.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 71' ' ' VAL . 11.1 p -162.32 120.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -157.11 -49.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.6 m -62.77 -36.69 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 116.36 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.06 36.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.33 172.94 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.81 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.06 -170.39 44.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.601 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.52 -27.57 32.89 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.19 -120.66 4.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.55 133.96 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.0 38.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.83 40.07 2.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.93 124.65 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 tp -153.68 30.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.05 -164.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 87' ' ' ILE . 14.4 p30 -87.9 52.27 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.659 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.6 pp -158.87 133.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 -69.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.48 107.88 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 87' ' ' ILE . 11.1 mp -106.89 93.52 9.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.88 143.12 59.66 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.227 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.47 162.09 3.57 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.402 2.068 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 94' ' ' LEU . 4.3 mm? -96.66 136.44 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' CD1' HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -143.48 155.28 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.585 ' HB2' HD13 ' A' ' 114' ' ' LEU . 7.5 mt -109.86 168.17 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' OE1' HG23 ' A' ' 50' ' ' THR . 32.8 tt0 -136.6 120.37 17.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -128.96 120.79 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -55.4 109.0 1.34 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.95 -50.75 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 112.307 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 27.38 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.92 152.95 43.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.84 42.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.06 175.37 13.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -103.05 18.3 22.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -62.77 149.83 42.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.04 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -92.63 135.87 33.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.77 74.4 78.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.19 147.18 91.83 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.691 2.261 . . . . 0.0 112.159 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE1' ' HA3' ' A' ' 151' ' ' GLY . 43.3 p90 -142.36 153.4 43.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.75 155.92 17.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.549 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.47 132.04 6.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 96' ' ' LEU . 4.7 mp -112.38 129.61 56.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.486 ' HA2' HD23 ' A' ' 95' ' ' LEU . . . -90.18 128.87 9.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.549 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.4 t -124.83 126.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -146.23 150.89 36.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.49 124.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 120' ' ' THR . 3.0 t -135.1 -50.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 119' ' ' THR . 2.5 m 57.43 80.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.35 112.8 7.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -114.36 150.58 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.5 147.42 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.22 -33.17 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.54 -59.79 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -31.56 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.28 -27.25 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.219 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.83 139.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.48 31.34 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -79.4 -177.83 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.95 -45.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.14 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -104.27 -31.17 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.5 115.27 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.08 -44.07 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.4 -174.25 2.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.95 144.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.87 109.57 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 139.8 52.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.6 tp -129.86 116.12 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.28 127.45 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 60.74 84.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.7 t -138.85 100.26 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 19.8 p90 -104.8 148.08 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.74 110.01 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.19 91.55 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.8 143.65 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.41 137.6 9.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 152.89 51.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.4 127.63 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.412 ' HA3' ' CE1' ' A' ' 111' ' ' TYR . . . -119.89 166.73 13.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.553 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 152' ' ' PHE . 4.0 m-85 -131.01 128.71 40.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.97 139.84 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -133.67 126.59 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.764 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.8 ttp -102.7 115.01 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.5 mt -111.16 -17.18 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.0 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.04 -72.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.88 -28.13 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.105 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.56 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -102.35 32.25 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 59.0 -163.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -116.73 148.52 41.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.57 141.38 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.785 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -139.83 120.73 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.68 162.96 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -156.44 137.98 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.23 152.14 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -120.45 118.41 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.87 87.59 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -112.42 -34.55 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -94.86 101.42 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.18 80.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.88 98.44 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 82.2 p -107.73 -48.93 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -115.26 -68.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.52 52.42 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.2 t -67.11 100.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.22 107.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.42 151.9 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 112.45 84.66 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.96 84.34 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.552 2.168 . . . . 0.0 112.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 58.7 m -145.07 61.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -143.65 163.22 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 101.11 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 62.26 -177.35 5.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 25.9 t 63.35 93.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.99 -69.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -134.48 130.26 36.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.4 m -142.9 128.97 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.96 156.04 46.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.8 m -145.04 161.79 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.47 -34.34 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.24 -13.49 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.526 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.82 74.76 0.39 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.901 0.382 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.91 -19.36 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 111.65 7.94 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.33 -41.02 3.86 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.397 2.065 . . . . 0.0 112.303 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 199' ' ' TYR . 1.0 OUTLIER 61.51 160.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.71 123.49 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.442 ' CZ ' ' CD1' ' A' ' 197' ' ' TRP . 55.5 m-85 -128.61 158.96 37.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.0 mtt -143.41 119.39 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.19 126.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.36 -162.79 14.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.57 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.25 178.57 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.95 162.62 29.47 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.43 151.11 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 ttmm -113.47 133.17 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.35 141.76 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 17.7 tp -102.38 121.3 42.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.335 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -80.23 95.42 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -105.8 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 116.99 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 116.11 15.59 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.702 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.76 147.08 43.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.52 124.26 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 52' ' ' MET . 2.0 mp -130.13 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.86 141.71 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -153.78 164.46 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.37 144.47 8.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.67 -171.45 15.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.93 161.96 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.721 ' HB3' HG23 ' A' ' 43' ' ' THR . . . -86.59 149.88 24.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -110.11 122.99 48.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.507 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.4 m -142.12 82.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -170.35 87.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 175.41 8.51 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.564 2.176 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.41 -47.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -31.68 71.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 p -105.28 176.85 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.1 p -162.68 179.38 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.28 152.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 26' ' ' LYS . 2.2 pp -111.52 -31.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.215 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HB2' HD12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -147.14 111.37 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.52 104.06 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -138.95 92.46 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.59 -86.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.75 -45.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -157.02 -178.41 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 -173.32 3.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.45 39.92 1.56 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.6 m 62.02 151.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -75.1 79.81 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.49 -43.51 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.16 123.73 9.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.2 p -140.46 63.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.09 120.91 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.43 -35.8 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 60.18 36.48 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.721 HG23 ' HB3' ' A' ' 14' ' ' ALA . 49.9 m -99.76 151.64 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.09 163.9 29.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 135.86 56.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.4 97.98 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.666 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.0 tp -102.54 150.85 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 61' ' ' LEU . 24.3 p -150.85 155.83 39.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.403 . . . . 0.0 111.26 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' HB2' HD12 ' A' ' 61' ' ' LEU . 90.5 m-85 -128.36 117.07 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -94.78 125.35 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.316 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 4.6 t80 -111.04 100.92 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.505 ' HG3' HD11 ' A' ' 8' ' ' ILE . 3.1 mmt -69.11 127.59 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -137.93 97.24 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 69.3 177.78 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.204 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.12 33.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.806 0.336 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -150.41 -34.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.637 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.521 ' CZ2' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.52 149.88 22.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 111.487 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.55 119.18 0.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.69 149.34 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.344 . . . . 0.0 111.186 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -140.87 138.54 34.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' THR . 72.7 mt -108.04 150.43 27.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.51 ' CG2' HD12 ' A' ' 95' ' ' LEU . 21.9 t -113.41 140.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -142.16 137.73 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.36 163.7 32.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.59 85.2 10.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' HG2' HD22 ' A' ' 90' ' ' LEU . 61.9 Cg_exo -51.49 177.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.522 2.148 . . . . 0.0 112.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -160.21 129.23 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -79.26 134.45 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -104.65 -36.48 7.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -108.29 170.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.6 148.83 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.72 105.03 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 74' ' ' LYS . 15.4 m -153.83 -46.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -166.7 162.95 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.83 -27.67 17.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 77' ' ' GLY . 7.2 tt -68.0 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.531 ' N ' HD23 ' A' ' 76' ' ' LEU . . . 147.74 -139.2 7.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.2 -45.54 33.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.532 2.155 . . . . 0.0 112.363 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.97 98.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mt -142.37 34.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -159.98 150.77 19.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.95 153.71 20.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 60.85 31.36 20.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.11 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.97 30.57 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -123.56 120.29 32.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 86' ' ' ASP . 10.0 pt -157.94 -43.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.22 -47.18 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.07 143.82 26.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 66' ' ' PRO . 2.8 mt -106.04 154.21 39.69 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 30.1 Cg_endo -63.43 128.39 22.37 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.533 2.155 . . . . 0.0 112.248 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 32.7 Cg_exo -57.92 165.13 7.06 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.414 2.076 . . . . 0.0 112.383 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 114.26 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 128.95 51.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -134.89 124.87 25.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.75 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.521 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -90.8 131.99 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -125.7 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.88 150.24 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 m-85 -105.65 101.84 34.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 -51.11 5.98 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.539 2.16 . . . . 0.0 112.322 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.22 33.33 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.11 121.03 11.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.84 44.94 1.07 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p -132.06 -171.91 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -92.71 18.3 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p -73.12 146.57 45.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.06 -50.94 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -91.27 145.2 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.37 75.93 2.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.91 134.05 19.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 19.0 p90 -122.87 134.38 54.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.8 20.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.98 -147.0 7.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 152.48 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.22 178.92 16.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.7 m -147.99 126.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -99.14 114.52 27.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.6 103.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.93 72.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.6 p -129.86 115.64 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 124' ' ' GLU . 53.5 p90 -94.27 156.59 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -107.06 -32.72 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -130.53 114.46 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 7.6 pt-20 -94.7 -35.27 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.16 -41.78 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -31.85 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.61 -31.59 36.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -85.28 171.04 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -122.48 84.76 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.89 155.44 42.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.43 41.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 61.14 68.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 31.26 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -136.21 38.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.31 -45.94 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -99.1 32.45 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.7 m -157.85 98.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 mtt -98.51 169.95 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -130.65 172.55 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.41 163.2 26.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -103.28 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.13 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.0 p 53.97 97.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.31 117.32 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.72 171.44 36.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 60.14 76.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 110.818 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -129.7 102.42 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -66.57 161.98 45.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -168.23 139.79 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.04 128.22 44.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -121.28 149.19 17.35 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.404 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -108.04 116.92 32.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -95.05 109.44 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -119.5 109.42 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 161' ' ' LEU . 2.2 mtt -93.57 139.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -107.63 -38.36 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.67 -2.02 2.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.58 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 156' ' ' LEU . 6.6 tp10 -85.95 -44.11 12.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -136.26 -32.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.513 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -176.66 -163.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 155' ' ' MET . 9.6 mt -116.67 138.94 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.61 146.22 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -139.74 144.0 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.84 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.19 132.73 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 168' ' ' TYR . 12.3 p -155.63 137.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -123.69 40.86 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.486 ' H ' HG22 ' A' ' 166' ' ' VAL . 17.6 t80 -136.03 82.54 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 4.6 ttt -125.86 136.01 52.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -83.75 -178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.665 HD13 ' H ' ' A' ' 171' ' ' ILE . 0.2 OUTLIER -139.92 139.01 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -132.53 31.21 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 27.2 p -88.1 -38.92 15.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -28.82 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 63.71 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.5 t 60.07 108.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.33 128.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -82.69 145.68 29.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -112.58 -114.73 3.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 139.19 65.96 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.45 2.1 . . . . 0.0 112.381 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.7 m 60.08 84.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -105.97 114.64 28.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 5.7 tp 60.61 166.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 154.85 -105.9 0.28 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 186' ' ' ASN . 12.0 p -114.24 155.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.09 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.429 ' N ' HG22 ' A' ' 185' ' ' VAL . 1.3 m120 60.64 99.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 164.98 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 189' ' ' LYS . 7.1 t -61.83 -48.08 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 188' ' ' THR . 0.0 OUTLIER 56.76 24.97 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 188' ' ' THR . 26.2 m -157.39 179.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 59.36 81.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t 61.11 88.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -149.14 -57.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.09 80.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.4 154.48 44.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 155.77 59.29 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.527 2.151 . . . . 0.0 112.163 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -106.14 124.12 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 14.5 m -149.32 123.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -145.17 172.36 13.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.2 mtm -112.23 129.83 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.03 141.57 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.73 -162.93 27.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.558 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -133.08 176.38 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.511 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.4 -161.44 13.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -156.29 159.66 39.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.06 137.23 54.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -68.9 132.87 47.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.55 164.73 23.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.937 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.721 0.296 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 131.1 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -162.27 153.21 17.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 132.98 52.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.49 15.4 32.3 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.739 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.17 147.02 53.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -120.11 115.47 23.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.3 mt -127.36 140.78 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -95.24 152.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.89 135.19 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.01 144.69 15.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.74 148.57 18.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.84 118.25 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.778 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.12 151.63 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.23 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.36 34.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -168.8 83.5 0.69 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 -41.74 65.66 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.562 2.174 . . . . 0.0 112.201 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.87 32.37 20.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 -32.06 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.56 65.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -104.25 -34.04 8.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -164.18 140.37 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.1 tt -127.35 -44.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 25' ' ' ILE . 6.1 mttp -148.77 162.58 39.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.783 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 27' ' ' LEU . 3.8 tt -105.79 -31.0 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 60.46 -178.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.78 -83.19 0.11 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.558 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.03 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -74.51 146.75 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.06 80.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.27 147.58 41.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.98 157.27 20.12 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -79.44 95.62 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.35 145.67 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.27 -49.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.82 117.91 35.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.87 -66.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.21 130.51 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.2 m -91.95 -38.21 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.51 102.36 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -117.0 129.74 56.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -133.19 125.3 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.62 103.89 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.2 111.3 3.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.41 127.49 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.749 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 62' ' ' VAL . 52.6 p -141.2 150.7 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . 5.7 m-85 -126.6 123.13 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.66 110.09 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 49' ' ' PHE . 12.0 m-85 -101.76 100.94 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 132.26 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -131.53 97.2 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.239 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.19 -173.77 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.268 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -94.71 33.02 1.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.635 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -150.25 -35.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.954 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -103.35 142.58 33.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.569 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -150.92 125.34 1.88 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.153 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 t -100.73 144.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.289 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.13 121.81 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.2 mp -103.28 148.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.919 ' HA ' HG22 ' A' ' 48' ' ' THR . 5.3 m -124.57 147.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.24 131.14 3.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 163.48 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' LEU . 29.2 p -87.61 149.18 45.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.04 168.79 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.557 2.171 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.51 -63.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -175.54 161.85 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -144.63 122.78 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -139.75 41.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t 68.95 -67.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -103.88 78.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 74' ' ' LYS . 14.5 m -135.71 -46.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -139.02 86.94 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.58 82.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.552 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 tp -84.89 140.94 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.34 60.74 6.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.31 110.31 2.63 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.563 2.175 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.71 -115.52 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.54 173.24 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -162.46 123.8 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.42 -93.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -63.81 167.37 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.25 32.49 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.21 85.05 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -96.48 42.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mt 68.58 -67.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.81 116.9 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.2 91.62 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -82.85 139.26 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.516 ' HD2' HD23 ' A' ' 90' ' ' LEU . 72.7 Cg_endo -74.91 128.53 11.63 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.512 2.142 . . . . 0.0 112.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.22 151.45 34.21 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.453 2.102 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.632 ' HB ' HG23 ' A' ' 62' ' ' VAL . 85.6 m -114.41 122.42 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.7 tp -97.69 140.54 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 tt -139.34 153.51 47.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -131.51 142.41 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.56 149.08 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -112.99 150.13 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HA3' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -116.62 78.75 9.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 -45.64 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.525 2.15 . . . . 0.0 112.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.62 30.59 5.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 99' ' ' TYR . . . -96.17 129.68 9.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.39 64.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.85 179.07 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -96.37 18.36 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.1 p -80.88 139.53 35.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.33 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.81 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 152' ' ' PHE . 0.4 OUTLIER -84.93 113.65 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -133.6 97.74 15.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' CD2' ' A' ' 152' ' ' PHE . 58.2 Cg_endo -71.63 -179.59 3.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.489 2.126 . . . . 0.0 112.195 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -175.82 169.84 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.75 163.63 30.99 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.14 93.9 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 114' ' ' LEU . 3.9 mp -111.44 135.24 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.38 137.95 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.426 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.14 143.42 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.5 109.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -170.67 147.41 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.8 m -74.51 148.15 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.02 32.84 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -160.61 172.62 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.4 176.23 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.86 114.29 25.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -28.53 16.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -58.11 9.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -29.92 70.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.25 -47.13 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.7 m -106.96 38.44 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -175.45 161.0 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 60.69 96.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 78.1 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -165.13 133.25 3.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.51 149.82 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -156.55 -50.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.8 126.67 54.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -108.7 113.95 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.08 138.12 49.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.3 ttp -131.87 116.45 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -82.21 138.19 34.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 38.07 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.01 33.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -153.62 32.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 p -127.84 35.73 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -68.56 167.87 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 156.17 -53.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 108.82 21.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.13 86.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.51 146.16 18.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -146.02 157.21 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.55 132.28 54.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.74 141.49 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.652 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 110' ' ' PRO . 85.6 m-85 -130.35 104.3 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.761 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.75 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -127.93 121.31 29.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.471 ' HG2' HD11 ' A' ' 161' ' ' LEU . 19.0 mtt -79.5 110.34 14.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.88 -19.32 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.67 -79.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.19 -27.74 67.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -117.94 33.85 5.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.88 -147.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.55 141.78 47.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.813 0.34 . . . . 0.0 110.734 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.68 117.88 31.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -102.19 105.64 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 19.5 ttt -110.41 129.93 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.72 126.9 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.201 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.95 145.78 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.03 -61.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 60.37 86.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.41 -69.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.86 117.27 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.04 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.1 tp -179.5 -38.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.47 139.7 37.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.722 HG21 ' HD2' ' A' ' 189' ' ' LYS . 0.7 OUTLIER -141.67 133.64 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.76 -31.74 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.8 105.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.4 t -104.94 -52.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.9 pt -122.87 79.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -68.7 138.86 55.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 160.66 -84.66 0.12 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.35 -35.6 65.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.599 2.199 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 80.3 p -113.92 32.52 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -77.31 -51.11 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.59 -38.02 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 89.14 134.96 5.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.93 -43.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.214 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -129.59 31.29 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -176.66 134.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 148.75 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LYS . . . . . 0.722 ' HD2' HG21 ' A' ' 173' ' ' THR . 3.5 mmtp -84.11 -42.64 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -162.11 132.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -113.14 -67.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.59 -52.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -164.41 70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 195' ' ' ASP . 27.7 m -64.07 -45.03 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.223 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 194' ' ' VAL . 0.2 OUTLIER -100.34 140.57 21.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.43 159.85 39.38 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.571 2.181 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -73.26 86.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.19 134.85 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -146.46 171.29 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.627 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 0.5 OUTLIER -109.72 117.18 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.56 145.23 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.7 23.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.85 166.3 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.442 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.79 155.18 26.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -159.56 123.91 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.766 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -87.85 139.82 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.44 156.18 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.08 142.72 26.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -138.58 104.67 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.13 147.21 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 138.96 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.38 15.48 47.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.716 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.18 139.13 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 8' ' ' ILE . 17.0 t80 -101.96 135.27 43.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -144.41 126.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.38 145.06 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -140.54 137.22 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.75 178.78 44.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.73 146.4 15.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -150.88 148.32 28.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . -120.4 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.57 121.43 24.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 16' ' ' VAL . 14.7 m -115.12 78.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.74 90.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.47 -53.99 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.495 2.13 . . . . 0.0 112.245 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.57 80.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.07 -59.92 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -172.79 87.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.9 167.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -98.68 30.49 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 64.36 15.61 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.0 tp 178.03 130.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.04 149.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mt 61.99 79.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.12 -56.46 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.55 42.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.02 106.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -107.53 116.72 32.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 60.19 108.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -112.98 155.6 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.31 158.14 21.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -130.1 157.16 43.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.27 92.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 97.79 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.2 p -141.3 73.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 101.73 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 p -87.52 -23.0 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 20.3 m-20 -54.68 -43.88 72.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.07 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.59 110.43 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -163.88 134.1 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 102.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.97 124.01 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.616 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.85 134.72 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -148.69 145.54 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -119.57 112.36 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OE1' ' A' ' 60' ' ' GLU . 3.6 m -96.12 138.49 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.13 100.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 8' ' ' ILE . 2.8 ttm -62.06 118.9 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -138.04 97.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.991 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.6 -176.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.5 31.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.723 0.296 . . . . 0.0 110.425 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -150.53 -35.91 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.827 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 21.9 m95 -97.63 150.71 20.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.036 0.446 . . . . 0.0 111.445 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.44 125.25 1.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.77 125.37 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE1' HG23 ' A' ' 50' ' ' THR . 1.1 tt0 -124.73 134.16 52.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 48' ' ' THR . 5.7 mt -115.64 149.87 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.4 t -107.76 143.66 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.9 131.54 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 163.69 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -142.13 94.93 6.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.23 61.35 3.31 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.558 2.172 . . . . 0.0 112.35 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 57.56 168.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.74 142.53 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -87.49 68.74 9.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 125.87 27.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 m -103.73 149.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.61 159.1 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.12 31.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.74 99.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.7 -29.1 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -133.94 105.03 6.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.74 -149.12 7.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.75 120.72 7.62 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.576 2.184 . . . . 0.0 112.289 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.01 74.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 tp -98.07 -66.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.91 171.42 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.54 3.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -88.94 -64.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.41 32.65 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.5 83.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.17 174.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 pt -107.28 130.66 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 148.05 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.41 115.22 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.18 93.52 42.67 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.64 128.54 29.64 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.494 2.129 . . . . 0.0 112.196 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 93' ' ' THR . 71.9 Cg_endo -76.84 120.14 5.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.469 2.113 . . . . 0.0 112.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 92' ' ' PRO . 1.2 p -158.95 126.06 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.81 128.0 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 115' ' ' GLY . 14.0 tp -124.38 122.45 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.659 HD13 HG21 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -85.7 117.54 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -106.03 139.26 40.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -149.76 150.07 31.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.96 107.4 18.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -44.62 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.422 2.082 . . . . 0.0 112.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 ttt -126.06 31.51 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.62 134.16 12.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.48 44.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.6 t -137.09 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -96.43 18.18 14.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.47 176.28 9.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.6 -39.02 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.406 ' CD1' ' O ' ' A' ' 108' ' ' PHE . 51.2 p90 -87.12 123.4 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.84 110.61 33.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -51.85 170.95 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.234 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.37 110.94 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.6 101.49 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.42 151.59 18.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.98 137.87 12.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 95' ' ' LEU . . . -91.49 125.8 8.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.659 HG21 HD13 ' A' ' 96' ' ' LEU . 31.4 m -123.31 148.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -120.87 144.98 48.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.28 168.91 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.9 163.72 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.6 t -170.1 140.82 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 92.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 61.6 152.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -173.79 -174.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -85.92 -37.32 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -33.15 73.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.69 -38.17 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.7 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.8 p -167.81 147.59 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -117.55 29.51 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 58.31 85.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -78.1 -177.34 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -132.81 149.9 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -100.42 118.43 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -158.38 -143.76 3.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.06 32.86 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.23 177.99 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 82.6 p -162.59 124.57 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -94.05 47.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -59.61 98.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.28 87.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -158.33 112.41 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.84 56.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.69 24.79 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.01 163.18 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.58 -52.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 tp 59.94 30.54 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.71 115.14 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -116.68 156.66 15.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.99 144.98 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.13 130.16 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.52 -179.12 19.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -138.59 138.59 38.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.47 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -109.46 120.65 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.7 114.05 25.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 159' ' ' HIS . 5.4 mt -109.25 -23.6 11.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.03 -73.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.7 -30.64 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.607 ' HB3' HD13 ' A' ' 156' ' ' LEU . 23.7 t-80 -116.9 33.76 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.41 -165.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 161' ' ' LEU . 3.1 mp -118.24 148.32 42.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 203' ' ' PHE . 1.2 m-85 -110.47 144.98 38.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.7 138.56 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.557 ' CE ' HD12 ' A' ' 201' ' ' ILE . 10.4 mtt -132.21 164.55 26.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.542 ' HB3' ' CB ' ' A' ' 200' ' ' MET . . . -157.88 138.49 12.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.66 146.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -74.42 -52.83 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.22 -169.14 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.28 -70.2 0.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASP . . . . . 0.405 ' O ' ' HB ' ' A' ' 171' ' ' ILE . 5.6 t0 70.12 -63.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 170' ' ' ASP . 8.7 mt 77.41 80.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.92 -167.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.746 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 t -177.31 116.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -97.04 23.5 7.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 56.52 52.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.213 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.2 p -143.26 135.62 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 178' ' ' ASN . 3.3 mp -101.63 159.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.476 ' N ' HG22 ' A' ' 177' ' ' ILE . 1.5 m-20 -59.88 139.0 57.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -116.01 108.34 1.82 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.384 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 121.28 8.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.415 2.076 . . . . 0.0 112.262 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 11.1 t -77.26 -47.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -102.12 102.8 13.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.98 83.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 162.94 -37.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.0 p -133.79 133.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -160.42 -177.56 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 151.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.2 p -127.61 146.3 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.63 110.29 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 190' ' ' VAL . 12.8 p -93.13 115.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.0 74.42 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 192' ' ' VAL . 17.5 t -143.99 52.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 194' ' ' VAL . 1.8 p30 -98.63 30.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 193' ' ' ASP . 5.5 m -159.23 82.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.22 161.77 77.65 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.84 -169.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -140.59 -47.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.428 HG22 HG12 ' A' ' 16' ' ' VAL . 21.3 t -114.99 138.77 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -109.28 147.57 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.542 ' CB ' ' HB3' ' A' ' 165' ' ' ALA . 88.6 mmm -111.44 116.15 30.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.557 HD12 ' CE ' ' A' ' 164' ' ' MET . 1.3 tt -140.73 140.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.64 -167.54 13.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 162' ' ' PHE . 2.6 m-85 -122.02 -179.68 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.58 155.73 26.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -159.68 127.0 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -86.7 134.15 33.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -127.94 136.85 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.78 163.48 16.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 60.31 104.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -145.08 157.51 44.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.07 132.96 41.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.68 15.44 29.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.707 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.2 153.37 42.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -111.82 147.58 35.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 52' ' ' MET . 17.0 mt -139.3 141.07 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.41 126.52 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.2 150.49 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.23 137.55 5.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.21 -132.11 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.552 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.44 161.73 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.15 123.28 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.72 128.94 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -123.95 179.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 62.06 148.82 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.89 -26.07 22.66 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.511 2.141 . . . . 0.0 112.349 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -97.31 -35.69 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.66 35.18 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -114.31 -179.21 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -124.52 -177.74 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.632 ' O ' HD13 ' A' ' 25' ' ' ILE . 3.2 m-20 60.15 72.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 24' ' ' ASP . 23.3 mm -135.68 -47.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.43 -173.81 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp -162.35 37.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.02 -43.24 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.05 -155.06 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.582 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.76 -62.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.95 136.29 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.15 139.12 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -145.16 166.68 24.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.08 -161.58 8.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -62.8 -31.57 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.71 99.34 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.83 -50.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.2 m -105.03 92.23 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.87 -62.2 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.42 76.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -82.15 -37.13 26.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -81.36 159.75 24.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.64 163.43 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -130.71 141.37 50.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 65' ' ' THR . 1.9 mt -76.05 131.51 39.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.97 121.12 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.91 127.94 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.799 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.869 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.8 p -142.74 132.36 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.43 121.85 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.39 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.116 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 3.1 m-85 -113.85 126.56 55.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.659 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.478 ' HB2' HD11 ' A' ' 8' ' ' ILE . 3.5 ttm -96.44 125.84 41.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -135.9 97.31 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.03 -175.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.57 34.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.2 -35.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.647 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 5.4 m95 -101.32 142.19 33.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 0.0 111.439 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.89 130.18 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.076 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.38 148.92 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.326 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -146.93 143.65 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -136.06 150.38 49.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.95 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.869 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -114.24 139.4 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.74 119.39 5.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.45 162.56 24.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 6.0 t -120.23 114.49 33.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.25 -26.96 41.51 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.452 2.101 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -99.08 132.6 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.02 -45.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.24 -42.9 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.83 86.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 m -124.77 -43.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.0 122.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 73' ' ' VAL . 19.4 t -103.63 38.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.42 -178.23 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.41 -34.98 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.89 141.56 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.72 -91.24 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.89 -44.18 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.571 2.18 . . . . 0.0 112.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.43 -83.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mp -113.08 -65.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -68.03 139.79 56.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.04 154.1 6.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt 62.21 117.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 117.71 6.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.51 103.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.64 -62.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.574 ' O ' HG22 ' A' ' 87' ' ' ILE . 20.2 mt 61.05 31.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -31.2 26.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.64 142.78 48.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -119.52 102.32 47.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.35 153.86 6.7 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.412 2.075 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.9 124.86 11.43 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.562 2.175 . . . . 0.0 112.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -83.23 115.68 22.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -105.36 142.17 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.62 153.08 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.88 142.45 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -109.92 131.29 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -132.64 139.85 47.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 49.0 m-85 -106.62 87.44 2.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.52 -36.62 8.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.532 2.154 . . . . 0.0 112.414 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 51.0 mtt -123.99 32.48 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.75 136.58 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.563 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.25 33.93 1.41 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -115.18 175.61 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.29 18.32 12.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -71.01 152.86 43.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.09 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.39 152.12 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 74.48 2.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.09 138.32 30.63 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.597 2.198 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 53.8 p90 -148.61 146.58 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.81 157.34 30.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.88 127.8 2.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 115' ' ' GLY . 0.5 OUTLIER -116.94 143.92 45.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.818 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.419 ' H ' HD23 ' A' ' 114' ' ' LEU . . . -114.72 153.65 17.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 94' ' ' LEU . 15.8 m -110.87 144.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -129.96 128.83 42.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -125.84 114.38 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.6 p -75.87 -69.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -144.94 157.5 44.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.96 175.23 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -104.32 156.2 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -78.59 -35.22 46.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.17 -41.38 81.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -31.44 66.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -73.97 -41.75 61.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.5 -32.14 24.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.2 t 60.18 -177.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -107.63 165.98 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -91.85 148.32 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 96.93 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -162.12 -62.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -171.37 154.85 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 129.0 102.28 1.05 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.426 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -151.29 128.87 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.98 -69.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 p -93.41 168.26 11.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.37 78.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -101.46 132.25 47.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tp -129.53 -65.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.84 104.14 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -104.56 -33.4 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.28 139.91 37.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -133.86 119.57 19.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -124.81 124.39 5.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.67 99.89 9.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.835 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -134.2 91.44 2.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.22 145.76 19.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.29 152.98 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.9 mp -111.93 132.27 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -125.35 142.38 13.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -131.14 117.96 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.11 151.87 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -141.01 127.31 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.4 ttt -98.39 119.5 37.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 160' ' ' ALA . 3.5 mp -103.72 -1.23 28.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.391 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.99 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 111.267 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.28 -35.29 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.285 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -97.49 33.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 156' ' ' LEU . . . 56.72 -163.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 161' ' ' LEU . 1.7 mp -116.79 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.8 149.06 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.496 ' O ' HD12 ' A' ' 201' ' ' ILE . 2.7 p-10 -132.69 150.16 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 ttp -131.46 147.39 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -135.93 123.14 21.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.9 143.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.451 ' HZ3' HG12 ' A' ' 198' ' ' VAL . 29.0 m-90 -79.0 159.99 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -61.5 174.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.57 170.88 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.49 -55.24 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.9 mt 59.63 102.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.05 79.51 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 26.7 m -85.55 83.89 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.42 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.43 169.44 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.21 92.13 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.6 pt -107.33 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.25 115.88 8.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' A' ' 180' ' ' PRO . . . 179.7 61.3 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 179' ' ' GLY . 52.3 Cg_exo -55.18 -56.85 2.0 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.603 2.202 . . . . 0.0 112.209 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 6.9 t -167.09 33.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.55 150.25 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.61 161.57 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 138.58 -54.68 0.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 185' ' ' VAL . 16.1 t -99.41 31.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -173.63 122.97 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -38.04 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 9.7 t -98.71 153.1 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -129.8 104.75 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 28.9 t -82.06 91.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.11 -46.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.3 t 65.12 84.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -161.41 72.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.62 137.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.26 112.11 19.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.08 -168.27 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.537 2.158 . . . . 0.0 112.301 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -164.87 76.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.451 HG12 ' HZ3' ' A' ' 167' ' ' TRP . 21.4 t -132.67 113.65 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.99 127.35 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.638 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 9.6 mtt -106.77 126.69 52.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 163' ' ' ASN . 5.3 tp -146.03 139.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -162.1 166.38 36.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.555 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.53 158.24 36.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.2 -173.76 37.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.33 138.87 46.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.16 104.57 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -81.38 137.6 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.444 HD12 ' O ' ' A' ' 208' ' ' LEU . 2.8 pp -138.3 121.99 17.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.752 0.311 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.03 153.55 51.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -157.36 154.32 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.36 119.68 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.83 15.44 7.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.724 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.26 138.95 40.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.762 0.315 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.68 133.4 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.6 mp -139.84 149.24 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 mt -121.86 152.13 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.93 150.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.53 159.31 27.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.374 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.15 -166.77 23.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.727 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -154.38 162.11 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 123.34 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -69.04 135.38 50.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 15' ' ' THR . 20.3 m -157.21 31.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 61.23 72.42 0.69 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.56 -40.92 3.63 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.548 2.165 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 94.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 -63.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 22' ' ' SER . 4.4 p 69.95 -61.78 0.44 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 21' ' ' SER . 0.3 OUTLIER 63.33 84.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.65 110.73 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.45 -64.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -100.65 -16.59 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.55 158.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.4 mt -109.69 -177.71 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -167.07 34.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 -106.43 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.564 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.43 142.83 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -141.59 160.29 40.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -162.24 -70.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -72.08 128.07 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.42 179.42 36.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 p -130.23 168.59 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.39 122.31 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.37 30.95 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.8 t -90.7 140.47 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -140.56 32.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -63.26 84.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -101.68 -4.09 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.415 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 31.08 2.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 151.85 27.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -140.87 121.9 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 101.12 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.719 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.43 125.85 8.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.97 158.78 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 61' ' ' LEU . 69.1 m -149.87 135.51 18.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.73 104.69 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.533 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 60' ' ' GLU . 88.6 m -95.13 126.24 40.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.42 100.92 8.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 133.9 49.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.21 97.2 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.43 179.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.298 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.68 36.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.666 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -150.28 -35.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.717 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.518 ' HH2' HD23 ' A' ' 96' ' ' LEU . 49.7 t-105 -108.65 150.07 28.05 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.11 122.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.265 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.19 151.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 111.355 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HG2' HG23 ' A' ' 50' ' ' THR . 45.4 mt-10 -141.29 139.87 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 48' ' ' THR . 9.5 tp -102.67 150.41 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 143.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.84 160.1 33.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.26 144.87 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 109.4 2.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.57 -42.38 49.69 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.397 2.065 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.88 29.29 18.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -122.01 30.87 6.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.64 131.54 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.8 109.66 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 71' ' ' VAL . 27.6 m -121.38 104.24 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -131.32 142.57 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 73' ' ' VAL . 12.3 p -130.25 49.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -140.79 24.94 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.13 -27.87 2.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.592 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp 63.24 86.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.95 -97.94 0.16 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 140.05 27.45 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.495 2.13 . . . . 0.0 112.413 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.05 -109.17 3.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.06 151.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.63 -37.95 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.61 -137.54 19.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.52 101.75 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.21 122.91 26.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.64 131.56 33.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 tt -110.98 135.76 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -122.0 153.9 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -145.34 133.51 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.77 145.67 94.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.44 156.26 50.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.551 2.168 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.68 155.06 63.62 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.534 2.156 . . . . 0.0 112.264 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -115.21 142.68 46.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' A' ' 61' ' ' LEU . 3.0 mp -122.8 137.13 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.87 137.7 51.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.518 HD23 ' HH2' ' A' ' 57' ' ' TRP . 8.5 mp -102.35 149.83 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.81 130.57 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.35 122.69 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.4 p90 -134.32 97.45 14.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 -27.89 23.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 112.355 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 mtp -122.83 33.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.72 123.04 7.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.97 46.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.438 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -121.02 174.73 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -95.56 18.34 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.67 158.9 23.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.13 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.5 133.15 34.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.23 84.66 6.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 151.04 81.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.601 2.201 . . . . 0.0 112.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -140.58 146.41 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.0 105.79 2.91 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.32 140.95 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -139.44 150.41 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.27 143.14 16.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 117' ' ' ASN . 9.2 p -137.05 158.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 116' ' ' VAL . 0.4 OUTLIER -93.81 155.99 16.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -105.71 149.62 26.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.5 108.02 3.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.3 p -123.94 145.16 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -110.26 -177.61 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.21 -66.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.634 ' HA ' HD21 ' A' ' 126' ' ' LEU . 2.3 t0 -177.31 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.42 -27.32 60.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.71 -47.01 80.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.634 HD21 ' HA ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -78.24 -28.74 47.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.74 -30.78 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 177.54 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 131' ' ' LYS . 2.5 p-10 -89.0 137.35 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -66.58 -41.66 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.437 ' O ' ' ND2' ' A' ' 129' ' ' ASN . 0.0 OUTLIER -60.41 157.65 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -151.18 176.72 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -152.57 144.25 23.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.58 150.69 8.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.87 97.23 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.15 122.09 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.9 p -81.13 118.78 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 33.2 mtm -142.7 112.07 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 31.16 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 tp -144.95 -58.5 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.13 93.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.17 -61.55 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 m -141.73 -47.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -90.71 153.35 20.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.94 -34.32 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.09 92.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -138.9 102.28 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.73 137.19 41.67 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 146.09 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 168' ' ' TYR . 10.6 mp -109.17 134.13 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.98 126.18 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.18 116.49 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 124.01 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -110.33 135.45 51.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt -102.63 110.23 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -108.31 -25.62 10.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -71.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -30.98 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.731 ' HB2' HD22 ' A' ' 156' ' ' LEU . 7.6 m-70 -113.52 31.06 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.51 -165.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.79 132.77 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -101.52 138.24 38.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -122.06 125.59 46.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.9 157.06 16.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -144.85 113.67 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 150' ' ' LEU . 4.3 m -131.89 168.97 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -69.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.757 ' HA ' HD13 ' A' ' 150' ' ' LEU . 1.5 t80 -166.1 -62.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.43 159.94 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -172.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 14.3 pt -97.83 -30.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.63 93.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.2 t -87.82 142.18 28.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 -47.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -71.47 84.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 45.9 p -79.09 -57.97 3.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -82.76 107.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -87.17 146.04 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -177.79 68.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.07 177.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.558 2.172 . . . . 0.0 112.367 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 13.5 m -150.71 -56.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -135.56 71.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.89 156.11 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -67.3 129.28 28.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 17.2 m -101.46 145.49 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -176.53 96.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 188' ' ' THR . 0.3 OUTLIER -94.24 159.23 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 187' ' ' LYS . 0.7 OUTLIER -163.15 130.79 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -71.96 68.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 23.8 m -148.86 171.34 2.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.451 ' O ' HG12 ' A' ' 192' ' ' VAL . 2.5 t0 -106.08 -68.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 192' ' ' VAL . 12.9 p 43.44 30.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.663 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -178.1 82.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.74 138.77 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -117.41 146.64 38.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 164.02 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.516 2.144 . . . . 0.0 112.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -128.53 31.19 5.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.36 155.11 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -137.12 160.38 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.614 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 7.2 ttp -100.98 121.0 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.423 HG21 HG23 ' A' ' 15' ' ' THR . 15.5 tt -132.99 135.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -164.41 -172.63 32.12 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -142.18 163.43 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.568 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -170.0 -172.76 36.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -143.29 148.16 35.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 8' ' ' ILE . 37.1 pttt -107.77 139.31 42.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 141.41 54.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 208' ' ' LEU . 3.1 mm? -98.04 124.62 42.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.856 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.89 0.376 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.38 97.65 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -163.42 -177.8 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.59 132.86 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.46 15.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -79.88 148.53 31.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -123.74 137.2 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HG2' ' A' ' 206' ' ' LYS . 41.5 mt -136.28 149.36 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.67 149.93 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.91 147.81 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.07 149.77 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.67 -149.41 6.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.625 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.38 161.29 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' THR . . . -123.2 145.41 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 14' ' ' ALA . 6.7 p -156.27 155.3 32.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.5 -30.27 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.202 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -146.47 142.97 18.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.94 -27.62 28.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.265 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -129.42 118.11 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.77 -59.13 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.19 149.54 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -108.01 98.46 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -101.92 146.85 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t0 61.37 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.0 mm -116.51 131.61 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.42 166.47 32.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 -56.22 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.91 97.65 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.17 179.69 39.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.1 155.23 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.74 79.45 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.67 118.53 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 68.79 -67.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.78 -175.25 46.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.577 HG21 ' HB2' ' A' ' 42' ' ' ASP . 6.2 p 56.64 -175.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.774 0.321 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -145.29 96.41 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.83 -75.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -157.11 -67.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 38' ' ' THR . 11.2 m -157.83 30.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -112.2 158.15 20.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -91.34 11.21 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.577 ' HB2' HG21 ' A' ' 35' ' ' THR . 15.5 t70 61.61 29.21 18.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.8 0.334 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -139.61 150.78 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.8 132.07 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.39 145.54 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 107.24 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.719 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -115.02 150.61 35.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.663 0.268 . . . . 0.0 110.554 179.759 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.52 ' OG1' HG12 ' A' ' 62' ' ' VAL . 25.8 m -154.84 148.24 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CZ ' HD21 ' A' ' 47' ' ' LEU . 64.3 m-85 -131.58 108.68 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 60' ' ' GLU . 2.8 m -94.7 116.14 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.9 m-85 -103.92 106.51 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ttt -68.55 127.66 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 5.0 m-85 -133.45 97.27 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 67.42 -172.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.95 31.12 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.524 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 -37.41 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.548 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.38 153.75 20.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.039 0.447 . . . . 0.0 111.318 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.32 104.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.16 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 m -100.6 151.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.348 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.6 mt-10 -136.15 111.59 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 51' ' ' TYR . 5.2 mp -96.25 117.63 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 93' ' ' THR . 35.8 m -100.94 147.4 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -138.2 120.37 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.75 160.2 33.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 t -96.15 125.79 46.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.57 -167.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.43 2.086 . . . . 0.0 112.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -161.48 135.31 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -137.77 170.09 16.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -162.63 172.42 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -80.92 153.81 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 72' ' ' ASP . 11.8 m -147.17 -47.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 71' ' ' VAL . 66.7 m-20 -82.3 171.0 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.95 -45.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -43.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.98 -54.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.74 -175.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.02 110.78 2.51 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.419 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.26 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.5 2.133 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.59 42.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -166.9 85.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.326 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -106.09 35.33 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.46 45.62 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -69.78 109.18 4.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 -45.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.63 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.252 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 60.33 160.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 pt -139.22 146.57 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.72 -174.74 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -82.8 113.02 20.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.56 156.93 50.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.43 166.92 16.03 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.57 2.18 . . . . 0.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 67.8 Cg_exo -51.06 141.73 36.82 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.605 2.204 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 62' ' ' VAL . 2.5 t -75.67 140.53 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 149.81 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.0 OUTLIER -137.4 126.63 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.445 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -96.55 142.14 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.628 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 41.5 mt-30 -150.51 164.97 34.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.456 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -148.98 142.73 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -67.07 109.89 4.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 -51.04 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.402 2.068 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.64 33.44 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -56.19 122.13 26.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.99 32.94 1.6 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -116.77 -178.39 3.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -99.17 18.31 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.437 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -85.67 128.69 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.0 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 106' ' ' SER . 42.3 p90 -71.33 129.36 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -100.49 97.57 6.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.56 140.91 44.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.429 2.086 . . . . 0.0 112.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -120.43 102.1 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.54 116.49 5.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -165.38 -153.55 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.848 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.948 HD22 HD22 ' A' ' 146' ' ' LEU . 0.9 OUTLIER -146.26 149.42 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.868 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -98.67 177.73 30.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.03 138.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.55 116.24 32.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.37 149.23 36.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 p -122.41 179.31 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.1 p -98.37 119.94 37.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.28 145.48 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -103.67 -62.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.87 123.11 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 11.14 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.305 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.66 -42.28 29.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -37.14 76.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.75 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.06 129.52 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.52 -57.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.02 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.91 32.03 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 62.66 -80.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.274 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 -168.94 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.97 -132.98 11.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 59.68 30.75 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -105.48 126.23 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -111.3 111.08 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.5 mtt 59.72 101.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.6 106.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 140' ' ' LEU . 1.2 pp -93.22 94.12 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.37 94.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -110.88 -69.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -114.8 31.12 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.78 111.75 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.41 121.43 5.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.402 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.948 HD22 HD22 ' A' ' 114' ' ' LEU . 13.1 mt -107.67 110.62 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.72 94.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -59.54 170.43 6.1 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.61 140.59 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.68 126.55 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.41 151.66 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.96 92.55 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.99 132.37 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.99 117.74 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.3 ptp -92.62 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.33 -20.18 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.57 -68.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -28.43 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -120.78 32.81 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.046 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.76 -157.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.43 126.0 52.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.474 ' HE2' HD11 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -95.57 137.64 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -131.81 126.18 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.22 169.91 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -153.63 106.31 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.68 172.75 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 61.77 157.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -162.95 165.07 25.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.01 107.45 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -88.86 164.05 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 171' ' ' ILE . 19.7 mt -98.25 35.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.23 168.6 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.6 m -69.9 157.9 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -122.52 70.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -143.11 -46.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.9 m -106.83 76.96 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.9 mp -141.44 116.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.92 124.41 21.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -161.29 -156.29 8.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.95 82.72 0.77 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.9 p -107.24 -74.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.97 -176.73 6.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.56 130.97 42.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 155.21 -61.58 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.4 t 62.05 90.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -146.28 88.07 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -74.08 155.39 38.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.1 p -156.09 -46.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -60.53 172.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.73 92.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -72.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 193' ' ' ASP . 11.2 p -177.8 -40.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 192' ' ' VAL . 63.6 m-20 -124.04 58.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.8 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.23 -66.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.61 149.62 46.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 165.76 1.06 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.59 2.193 . . . . 0.0 112.283 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -177.09 161.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 26.4 m -89.62 142.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.04 130.23 35.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.628 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -131.06 124.83 31.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.474 HD11 ' HE2' ' A' ' 162' ' ' PHE . 1.3 tt -136.23 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -166.01 173.28 41.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -137.02 158.6 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.2 -164.46 17.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -159.6 134.99 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.453 ' HG2' HD13 ' A' ' 8' ' ' ILE . 28.4 mttt -86.79 140.86 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -69.41 122.05 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 160.86 29.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.842 0.354 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -100.28 155.48 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 157.49 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.81 144.98 51.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.46 58.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.707 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.3 133.49 35.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -109.08 128.34 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.742 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.555 HG22 ' HA ' ' A' ' 206' ' ' LYS . 48.7 pt -138.72 148.51 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.267 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 20.8 mt -100.28 158.83 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB3' HG23 ' A' ' 48' ' ' THR . 3.2 ttm105 -162.73 148.2 12.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.89 146.1 17.09 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.323 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.39 165.18 12.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.693 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -148.84 107.62 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.27 151.68 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -91.32 151.82 20.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -101.57 108.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.88 140.72 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 114.15 3.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.43 2.087 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.39 31.16 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.8 -27.41 69.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 p -93.84 45.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.75 -46.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m 62.09 105.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.87 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 pt -111.69 105.84 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 179.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.72 156.49 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.56 89.2 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.83 -154.97 9.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.92 -68.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.94 98.92 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 137.43 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -167.25 -43.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.15 176.46 37.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 m 62.4 149.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 109.36 17.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.56 22.59 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.64 HG23 ' OG ' ' A' ' 41' ' ' SER . 24.9 m 57.5 106.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.063 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' ASP . 23.4 m -123.56 -43.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -120.8 41.81 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.64 ' OG ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -66.48 -60.6 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.82 33.85 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 41' ' ' SER . 6.4 t -120.84 138.85 53.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.7 150.27 45.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.59 133.57 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.93 125.61 8.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.615 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.8 127.45 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.316 . . . . 0.0 110.637 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 10' ' ' ARG . 11.5 t -146.7 151.93 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.15 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.59 119.24 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.84 132.17 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.0 100.93 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 125.67 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.19 97.24 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.239 179.588 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.02 -174.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.334 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.32 33.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -150.37 -36.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.831 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 10.4 m0 -99.55 137.77 37.57 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 121.057 0.456 . . . . 0.0 111.418 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.91 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.335 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.03 135.53 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.706 ' HB3' HG23 ' A' ' 50' ' ' THR . 3.0 pt-20 -141.5 144.44 34.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.911 HD21 ' HB2' ' A' ' 92' ' ' PRO . 2.8 tt -112.07 121.51 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.79 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.99 154.6 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.28 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.63 164.41 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.33 163.33 16.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 p -114.8 77.91 4.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.77 56.2 5.54 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.588 2.192 . . . . 0.0 112.542 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 52.08 29.68 6.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -174.61 133.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.08 179.56 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -75.75 -64.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 71' ' ' VAL . 27.4 m -113.91 123.31 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.28 -169.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.43 -38.42 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.99 149.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.39 68.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -141.24 -50.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.7 177.28 45.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.05 116.47 4.6 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.89 176.72 19.59 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -113.05 167.61 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.79 -170.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.17 175.62 39.46 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -149.66 172.03 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.78 72.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.91 114.1 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.99 -59.62 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 pt -71.74 135.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -176.47 -43.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -66.12 99.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -89.57 137.87 28.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.785 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.774 ' HB3' HG21 ' A' ' 119' ' ' THR . 74.2 Cg_endo -75.32 142.72 27.25 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.168 . . . . 0.0 112.368 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.911 ' HB2' HD21 ' A' ' 61' ' ' LEU . 65.2 Cg_endo -73.64 164.91 33.67 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.496 2.131 . . . . 0.0 112.299 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -87.74 114.08 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -99.6 129.02 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 HG21 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -86.44 130.35 34.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -118.0 135.58 54.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -126.24 150.21 48.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.425 ' CD1' ' CA ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -99.83 97.25 5.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 -46.09 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.478 2.119 . . . . 0.0 112.267 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.79 29.86 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' CA ' ' CD1' ' A' ' 99' ' ' TYR . . . -75.21 94.05 0.9 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 104' ' ' THR . . . 168.53 44.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.573 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -167.75 -179.75 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -110.66 18.28 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.38 165.54 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.32 -34.68 31.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -70.96 112.14 6.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -112.86 82.77 5.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.13 161.84 44.49 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.545 2.163 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -156.96 132.68 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.82 110.65 4.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -92.24 138.58 14.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 113' ' ' GLY . 30.4 mt -141.68 136.93 31.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.62 129.78 9.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.396 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG21 HD13 ' A' ' 96' ' ' LEU . 24.6 m -148.74 130.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.61 117.85 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -128.92 106.97 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.774 HG21 ' HB3' ' A' ' 91' ' ' PRO . 0.6 OUTLIER -150.29 -59.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 121' ' ' PHE . 0.2 OUTLIER 60.06 -175.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.469 ' H ' HG22 ' A' ' 120' ' ' THR . 0.2 OUTLIER -90.05 -178.57 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.81 31.29 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.55 157.97 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -102.88 -58.49 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.72 -37.05 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -28.45 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.11 82.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m 62.08 116.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -119.59 57.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.38 -21.12 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt 61.58 33.46 18.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -104.52 113.33 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.42 140.1 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.11 -29.91 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.13 165.92 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.93 43.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.62 118.03 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.4 ttt -117.64 145.95 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.802 ' HB3' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -112.88 -51.96 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -146.89 -179.16 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -100.29 133.84 44.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.775 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.96 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.0 106.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -148.89 121.58 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.537 ' C ' HD22 ' A' ' 146' ' ' LEU . . . -77.98 -174.2 42.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.476 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.537 HD22 ' C ' ' A' ' 145' ' ' GLY . 4.0 mm? -123.44 -43.92 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.62 -172.47 3.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.84 165.17 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -142.97 154.43 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.1 119.57 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.14 134.42 11.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.18 102.6 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.81 142.65 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.46 150.83 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 mtt -77.2 128.87 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -109.98 -26.94 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 69.38 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.07 -45.67 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.15 31.16 3.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.75 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 64.16 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.74 153.77 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.804 ' HB2' HD23 ' A' ' 156' ' ' LEU . 5.7 t80 -128.11 143.5 51.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.75 157.13 44.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.245 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.27 172.04 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.695 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 138.03 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.6 m -144.66 131.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -140.28 137.76 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.37 -51.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -160.2 144.74 14.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.33 -48.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.42 -173.16 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.8 t -102.73 123.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.12 -47.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.51 84.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.26 130.66 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 177' ' ' ILE . 4.8 tt -111.74 125.78 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.47 117.42 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -104.52 -142.88 11.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.7 87.2 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 18.7 t -103.7 -67.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -174.66 147.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 mp -100.51 127.19 46.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 78.38 -157.02 43.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 23.6 m -84.52 162.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.59 119.11 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 173.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.7 t -79.04 146.12 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -114.2 130.21 56.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 191' ' ' ASP . 17.5 m -134.62 -46.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 190' ' ' VAL . 0.2 OUTLIER -73.38 -47.52 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 192' ' ' VAL . 12.5 p -103.99 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -65.09 -33.33 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.2 m -151.36 157.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.05 113.81 48.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.751 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 87.87 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.354 2.036 . . . . 0.0 112.278 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -105.06 100.8 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.07 135.17 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.415 ' CD1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -111.37 126.15 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.881 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 32.5 mmm -114.57 115.59 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 199' ' ' TYR . 3.7 mp -141.8 145.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.44 -162.8 28.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.64 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.434 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 8.7 p90 -148.08 175.18 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 0.0 110.731 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.677 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -159.02 -165.37 15.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.778 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.414 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.7 OUTLIER -141.68 131.05 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.794 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.555 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -101.11 131.63 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -105.34 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.0 155.13 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.886 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -118.36 150.63 39.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -137.63 140.93 41.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 128.61 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.62 15.54 26.78 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.766 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 155.76 39.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 146.68 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' ' 206' ' ' LYS . 12.8 mt -144.11 145.34 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -113.6 123.19 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' NE ' HD12 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -134.66 167.94 19.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.03 146.89 9.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.99 -158.45 8.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.589 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.637 ' CZ ' HG22 ' A' ' 43' ' ' THR . 12.4 t80 -134.66 160.98 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.38 142.64 32.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 16' ' ' VAL . 2.7 m -98.5 130.59 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 17' ' ' ASP . 26.0 t 63.58 159.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' N ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -176.88 -61.94 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 56.7 Cg_endo -70.6 84.26 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.486 2.124 . . . . 0.0 112.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.76 33.72 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -86.74 -50.64 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.65 136.98 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 t -170.34 178.14 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.6 t 60.53 157.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -172.27 107.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 25' ' ' ILE . 4.1 mt -126.92 43.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -138.55 162.1 35.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 88.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.99 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.65 67.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.08 166.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -111.58 49.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 96.37 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -113.52 139.46 48.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.18 -139.86 4.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 t 42.82 83.53 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 111.53 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 61.3 88.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 -36.42 51.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -75.76 124.63 27.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.24 31.09 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 85.77 7.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -88.58 -35.18 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.18 90.28 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.637 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -90.23 136.47 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.54 105.53 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.47 133.97 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.775 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.62 116.01 5.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.688 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.63 127.47 53.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.578 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -133.02 137.49 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.322 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -122.03 112.43 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.425 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.75 129.97 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 111.187 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.436 ' HB3' HG12 ' A' ' 59' ' ' VAL . 1.2 t80 -110.46 100.87 9.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.35 122.33 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -134.04 97.24 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.91 -175.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.228 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.43 33.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.78 0.324 . . . . 0.0 110.474 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -150.42 -37.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.725 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 96' ' ' LEU . 7.6 m95 -97.87 150.36 21.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.046 0.45 . . . . 0.0 111.517 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.03 109.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 51' ' ' TYR . 11.1 p -100.69 151.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -138.57 148.51 44.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.611 ' HG ' HD12 ' A' ' 94' ' ' LEU . 1.1 tt -129.38 122.47 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.9 152.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.281 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -158.39 124.63 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.57 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.8 p -85.33 148.86 50.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.02 175.77 9.34 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -89.67 125.67 35.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.85 114.18 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -140.63 164.73 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.36 136.34 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -162.97 148.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.33 132.77 54.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -96.93 -30.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.91 113.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.82 -42.86 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 tp -97.47 155.8 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.13 -176.94 43.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 144.2 39.49 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.582 2.188 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.64 -156.26 10.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.7 mt -90.4 -53.3 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -164.03 -177.57 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.77 171.52 12.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -157.81 118.99 3.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.71 -51.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.88 112.57 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -102.2 151.66 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.95 179.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.45 156.44 48.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.65 114.15 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.33 110.27 2.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.74 138.85 82.6 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.401 2.067 . . . . 0.0 112.163 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 144.34 61.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.465 2.11 . . . . 0.0 112.275 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.46 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.611 HD12 ' HG ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -100.37 146.26 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.32 122.88 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 57' ' ' TRP . 5.7 tt -89.45 148.42 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -140.73 158.08 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 43.2 p90 -145.29 127.11 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' HA ' ' CG ' ' A' ' 111' ' ' TYR . 7.4 p90 -132.19 73.43 77.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' A' ' 111' ' ' TYR . 53.1 Cg_exo -55.04 -48.17 22.54 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.561 2.174 . . . . 0.0 112.418 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -27.56 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.92 94.65 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.19 57.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.572 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.63 -172.61 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -92.94 18.21 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -73.37 176.34 6.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.766 ' HB1' ' CE2' ' A' ' 154' ' ' TYR . . . -90.98 -64.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -92.47 141.82 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -131.62 90.53 36.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 58.8 Cg_endo -71.74 127.66 13.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.569 2.179 . . . . 0.0 112.261 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CG ' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -177.45 -164.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.95 -168.21 25.73 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -155.44 -118.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.752 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -134.03 172.99 12.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 110.976 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -131.87 -160.95 9.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 94' ' ' LEU . 12.3 p -104.06 153.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.4 ' N ' HG22 ' A' ' 116' ' ' VAL . 5.3 m-20 -106.89 153.28 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -77.6 179.75 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.1 p 57.97 106.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -160.68 123.36 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.36 111.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 144.2 39.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.92 150.74 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -102.96 -32.36 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.32 -33.74 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.1 mp -79.94 -28.37 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.09 -30.67 64.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -179.72 7.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.64 164.56 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -175.05 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -31.84 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.37 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -132.01 114.33 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -79.39 118.15 4.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.65 -31.71 22.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -67.04 -176.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 32.9 t -105.78 149.0 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mtt -134.7 131.29 37.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -117.26 179.4 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.46 166.4 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -160.49 95.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 60.41 76.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.8 -72.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -82.38 111.66 18.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -75.25 146.98 35.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.54 103.59 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.33 106.26 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.23 136.94 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 119.54 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.8 tp -123.23 153.9 39.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -170.21 -152.04 7.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 82.8 m-85 -134.68 129.44 34.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.79 125.01 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.766 ' CE2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -99.48 106.4 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.7 mmt -102.85 103.79 13.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 159' ' ' HIS . 6.3 mt -111.74 -17.07 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.163 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 67.11 -75.86 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -29.48 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 156' ' ' LEU . 1.2 t-80 -100.52 28.19 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . 66.27 -170.46 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 205' ' ' TYR . 0.2 OUTLIER -142.42 139.22 31.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.404 . . . . 0.0 111.075 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.15 130.55 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -104.62 126.73 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.056 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.61 ' HG3' HG22 ' A' ' 201' ' ' ILE . 11.9 ttm -133.57 132.52 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.01 150.33 35.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.37 138.22 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.1 p-90 -118.02 -36.26 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -76.36 124.49 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -161.53 148.95 14.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -157.7 98.33 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 171' ' ' ILE . 1.0 OUTLIER -173.45 63.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.89 -45.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -66.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.51 -49.03 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 61.08 178.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 33.0 pt -91.8 136.71 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.03 142.94 39.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -113.4 65.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 -27.98 24.92 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.561 2.174 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 5.4 t -124.01 41.2 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -67.95 163.63 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.87 158.97 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 112.93 126.36 4.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.07 30.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.13 107.93 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' LYS . . . . . 0.591 ' HB3' HG13 ' A' ' 190' ' ' VAL . 21.3 mmtt -125.28 130.83 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 33.6 p -114.46 -33.86 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 48.69 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.591 HG13 ' HB3' ' A' ' 187' ' ' LYS . 2.8 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 60.84 71.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 193' ' ' ASP . 12.0 p -160.04 -44.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.49 ' N ' HG13 ' A' ' 192' ' ' VAL . 4.9 p-10 -93.18 47.54 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.76 125.86 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.45 123.69 35.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.2 82.46 1.58 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.45 2.1 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -69.0 128.74 37.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.78 125.37 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 201' ' ' ILE . 52.7 p90 -135.2 156.84 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 5.7 mmm -111.25 133.1 53.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.61 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.7 pt -139.96 138.81 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.68 178.58 44.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.614 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -139.82 164.73 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -166.68 -154.4 8.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.627 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.605 ' HA ' HD21 ' A' ' 161' ' ' LEU . 15.5 m-85 -151.6 159.72 43.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.657 ' HA ' HG23 ' A' ' 8' ' ' ILE . 27.2 mttt -94.44 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.92 120.36 31.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.8 mt -137.32 119.31 15.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.937 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.79 136.38 40.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.62 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 138.95 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.89 15.52 39.14 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.712 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.19 144.0 34.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 137.35 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 206' ' ' LYS . 4.8 mp -141.83 141.23 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 pt -139.85 129.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 161.15 43.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.39 153.71 25.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.723 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CE1' ' HB ' ' A' ' 43' ' ' THR . 14.9 t80 -134.98 161.95 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.34 151.77 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 t -142.29 155.76 45.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG13 ' CZ3' ' A' ' 197' ' ' TRP . 21.5 t -123.62 80.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 2.0 m-20 -71.9 -60.71 2.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 57.0 Cg_endo -70.84 136.73 30.8 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.532 2.155 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.57 -67.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.83 -38.37 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m 60.16 87.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 p -68.28 132.42 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.56 88.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.7 149.27 27.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.6 mt -75.34 139.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm 61.16 174.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.771 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tt -85.24 85.12 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.4 104.99 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.79 120.51 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.16 119.92 21.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.82 159.69 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -101.46 149.67 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -98.1 152.54 19.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.13 -62.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.3 m -163.72 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.65 147.33 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.99 -75.57 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.45 83.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.63 -28.06 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.36 76.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.1 t -80.19 -46.3 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.37 168.22 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.406 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 77.7 p -126.53 130.22 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.21 103.71 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.59 119.41 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.9 124.34 7.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.664 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 127.49 41.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.2 p -130.14 139.14 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.13 104.58 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.468 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 85.9 m -96.62 138.11 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -122.73 108.14 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.67 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.29 128.48 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 10.7 t80 -138.0 97.38 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.153 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.21 -177.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.187 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -92.63 31.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -150.51 -36.6 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.766 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -102.38 162.46 12.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.07 143.78 5.48 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.146 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 t -100.73 151.11 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' HG3' HE22 ' A' ' 97' ' ' GLN . 6.1 tm-20 -145.69 124.35 12.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.77 150.43 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.94 135.12 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.39 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.53 163.72 28.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t -130.89 79.33 71.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.79 -28.32 37.91 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.39 158.88 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -176.34 -40.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.64 -65.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.44 160.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -104.46 -38.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -92.25 131.22 37.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -106.9 -37.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -133.64 128.91 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.42 102.23 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.16 137.4 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.96 -103.75 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.17 168.77 23.88 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.472 2.115 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.26 170.47 44.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.365 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 127.39 32.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -151.39 -60.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.05 -78.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.83 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.9 mt -110.02 164.68 12.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.8 -68.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.07 104.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 87' ' ' ILE . 19.1 tt -117.08 116.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.77 176.13 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.8 155.52 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.9 123.28 37.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.12 129.17 12.88 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.437 2.091 . . . . 0.0 112.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.65 163.0 39.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.513 2.142 . . . . 0.0 112.239 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.3 125.65 29.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.07 145.35 38.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mp -146.61 135.72 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.95 133.2 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.498 HE22 ' HG3' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -104.03 134.06 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -148.73 134.56 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -138.68 88.82 13.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.74 -50.54 12.23 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.61 2.206 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 33.33 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.03 110.96 4.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.8 57.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.26 179.59 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.63 -8.43 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m -57.56 147.6 26.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -81.96 124.22 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.79 111.89 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.764 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.79 150.57 78.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.381 2.054 . . . . 0.0 112.213 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -129.24 131.89 47.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.16 136.05 13.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.91 127.77 5.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.579 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 138.25 52.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 147' ' ' ALA . . . -85.77 132.35 11.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.9 135.14 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.08 139.53 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -161.98 175.34 11.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.8 m -129.46 141.64 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.5 m -77.34 -43.54 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -109.51 159.44 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -149.88 103.73 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -146.81 134.44 21.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 -31.34 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.52 -56.35 12.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mp -60.12 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.05 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.1 t -64.88 127.94 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -162.59 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -91.98 -70.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -142.76 140.4 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -155.66 -65.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.68 107.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -127.08 -147.51 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -95.35 -64.74 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -162.3 145.78 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 -36.83 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.1 tpt 67.61 -69.88 0.13 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -74.05 98.82 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.77 -59.54 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.01 103.05 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.24 33.38 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.4 p -123.23 100.59 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -97.59 124.63 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.64 91.93 1.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mp -82.34 139.03 34.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.486 ' HB1' ' HZ2' ' A' ' 167' ' ' TRP . . . -169.66 136.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.86 159.53 19.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.667 ' OE2' ' HB1' ' A' ' 165' ' ' ALA . 55.8 tt0 -166.94 151.68 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.023 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.45 HD13 HG13 ' A' ' 166' ' ' VAL . 4.0 mp -113.82 147.65 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.49 124.1 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.632 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -104.87 102.99 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.12 139.97 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -128.38 124.16 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.6 mtt -93.65 110.17 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mp -110.52 -24.3 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.77 -74.72 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.42 -27.35 68.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 32.79 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.13 -157.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.6 145.91 43.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.01 120.47 40.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.37 121.6 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.625 ' HG3' HG22 ' A' ' 201' ' ' ILE . 3.2 ttt -110.98 161.63 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.667 ' HB1' ' OE2' ' A' ' 149' ' ' GLU . . . -146.87 145.97 30.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 199' ' ' TYR . 12.5 p -153.11 128.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.486 ' HZ2' ' HB1' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -100.73 134.12 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -163.75 38.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.3 ttt -125.53 81.78 2.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -129.79 128.59 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 19.1 pt -98.44 31.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -137.93 89.26 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.38 -45.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.44 -25.65 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.01 114.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.72 88.87 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 19.6 tt -130.34 130.34 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -76.45 154.44 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 61.54 91.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.22 -28.09 28.26 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.78 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.551 ' HB1' HG22 ' A' ' 185' ' ' VAL . . . -124.4 165.31 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.473 ' H ' HD23 ' A' ' 183' ' ' LEU . 0.8 OUTLIER -103.39 -30.95 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 169.89 43.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.426 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.551 HG22 ' HB1' ' A' ' 182' ' ' ALA . 11.8 m -106.1 -31.7 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.86 7.56 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.65 167.25 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.8 0.334 . . . . 0.0 110.979 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.0 p -126.4 168.97 13.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -152.15 158.71 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.33 30.56 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -83.19 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 192' ' ' VAL . 14.1 p -166.03 38.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -146.1 65.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.14 -66.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.8 137.37 26.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.446 ' HB2' ' CE3' ' A' ' 167' ' ' TRP . 97.2 Cg_endo -79.77 78.49 3.68 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.56 2.174 . . . . 0.0 112.471 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.493 ' CZ3' HG13 ' A' ' 16' ' ' VAL . 27.8 p-90 -140.93 38.47 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.94 141.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.612 ' CE1' HG23 ' A' ' 166' ' ' VAL . 26.3 m-85 -106.45 170.96 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.607 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 11.4 ttm -137.99 136.45 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 164' ' ' MET . 38.2 pt -143.73 140.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.74 -162.67 27.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -148.45 158.18 43.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.26 -177.5 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.401 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -131.47 147.59 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HB3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -120.59 119.85 34.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.34 135.28 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 7.7 mt -139.88 131.33 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.882 0.372 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.12 134.1 44.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -136.74 -177.76 4.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.8 140.69 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.47 15.36 62.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.679 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.99 143.05 37.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.728 0.299 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -104.33 117.1 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.452 HD13 ' O ' ' A' ' 7' ' ' PHE . 24.9 mm -128.18 139.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' CE1' ' A' ' 49' ' ' PHE . 21.7 mt -124.4 127.93 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -138.33 140.89 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.47 154.31 25.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.65 -162.63 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -144.25 161.88 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.76 145.79 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.53 133.29 36.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.52 150.62 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.36 117.23 52.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 -175.9 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.417 2.078 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 -73.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -89.38 -51.09 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -166.1 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -148.77 80.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 p -72.54 144.91 47.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.09 114.74 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mt 63.97 125.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -101.98 -67.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.46 155.81 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.08 33.88 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.96 165.53 28.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.54 159.51 35.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 60.4 74.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -138.69 171.2 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -113.13 31.03 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.67 56.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.577 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p -148.15 175.48 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -115.24 -63.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 79.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.2 p -103.86 -54.32 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.7 -26.39 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.262 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 5.9 t -108.77 -32.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.42 -77.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.4 p -65.16 137.47 57.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -125.3 129.89 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.57 106.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.4 114.25 4.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.689 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.75 139.83 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.664 0.269 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LEU . 21.2 m -141.54 140.4 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.436 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' A' ' 9' ' ' ILE . 32.8 m-85 -117.49 105.71 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.398 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.07 31.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 111.317 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.54 101.67 7.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.423 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 126.38 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.407 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 4.1 m-85 -137.99 97.27 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.995 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.13 -172.98 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.202 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -94.91 29.09 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.831 0.348 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -150.47 -36.5 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.699 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -91.48 146.46 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.032 0.444 . . . . 0.0 111.42 -179.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.43 117.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.16 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.78 132.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.54 143.04 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.877 HD21 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -120.49 137.52 54.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 95' ' ' LEU . 30.9 m -105.6 141.8 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.46 139.13 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.01 155.65 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.6 m -104.36 118.68 56.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 -61.71 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.463 2.109 . . . . 0.0 112.365 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 98.5 m-85 -135.23 -72.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.24 179.66 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -153.96 32.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -89.11 84.07 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 m 41.14 86.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.831 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' C ' HG23 ' A' ' 73' ' ' VAL . 35.5 t0 -130.05 145.89 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG23 ' C ' ' A' ' 72' ' ' ASP . 5.3 t 79.11 -55.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.272 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -106.5 132.55 52.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.51 45.16 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.0 mt 60.32 91.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.1 -159.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.576 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.37 -27.88 27.81 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.634 2.223 . . . . 0.0 112.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -97.22 -169.93 33.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -115.39 -38.73 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.1 144.24 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.86 -118.5 4.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 -46.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.752 0.31 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -177.47 -62.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.41 -175.93 3.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.51 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.48 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.5 pp -138.83 30.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -147.06 96.89 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.775 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -150.34 121.83 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.029 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.73 130.23 53.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.22 128.36 29.35 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.445 2.096 . . . . 0.0 112.112 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.47 148.16 18.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.528 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.458 ' HB ' HG23 ' A' ' 62' ' ' VAL . 31.2 m -112.16 130.53 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.877 HD22 HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -96.62 139.85 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 94' ' ' LEU . 4.4 mp -135.91 126.5 27.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.88 132.32 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 131.44 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.979 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -126.8 150.2 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 43.1 m-85 -119.48 79.95 21.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.81 -50.79 2.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.637 2.225 . . . . 0.0 112.144 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 30.64 6.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.91 138.86 14.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.44 49.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -127.08 -176.2 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.469 ' H ' HG22 ' A' ' 104' ' ' THR . 37.8 t30 -95.72 18.27 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -89.9 155.34 19.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.74 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.31 121.14 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.07 89.24 6.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.42 163.18 38.99 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 37.4 p90 -171.94 159.39 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.23 165.41 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.392 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.53 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -149.68 155.97 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.623 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 113' ' ' GLY . 4.4 mm? -122.95 146.95 47.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.09 131.2 10.54 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.38 150.69 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -155.99 121.97 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.98 158.95 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 120' ' ' THR . 1.0 OUTLIER 59.8 170.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER 60.17 37.19 20.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 60.86 156.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -172.25 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.79 137.4 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.51 -19.56 49.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -44.86 84.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -57.92 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.57 -29.32 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.8 p 59.66 164.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.5 114.28 20.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.04 145.41 41.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -137.77 94.73 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.82 157.26 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.77 -64.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -114.12 71.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -168.77 122.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -143.34 118.29 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.1 t -75.68 112.82 12.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 105.82 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.602 ' C ' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -141.04 74.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 139' ' ' LYS . 3.8 mm? -131.93 164.83 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.71 -67.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.55 -58.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.42 117.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -150.99 113.75 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.602 ' O ' HD22 ' A' ' 146' ' ' LEU . . . -100.39 -59.56 0.84 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 145' ' ' GLY . 3.6 mm? -128.0 -177.55 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -97.12 -168.46 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.22 141.63 15.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 144.18 43.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.43 134.48 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -174.17 -145.89 5.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -165.71 163.97 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -124.64 146.11 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.412 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 7.6 t80 -100.69 125.95 47.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.99 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 154' ' ' TYR . 8.4 mt -109.4 -25.25 10.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.2 m120 69.19 -67.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.27 -30.53 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.411 ' CB ' HD13 ' A' ' 156' ' ' LEU . 4.2 m80 -110.5 29.72 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.675 ' C ' HD12 ' A' ' 161' ' ' LEU . . . 61.92 -166.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 160' ' ' ALA . 6.1 mp -122.26 130.69 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -99.05 116.21 30.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.1 147.1 23.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.73 133.27 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -136.8 137.55 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -178.73 156.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.446 ' N ' HG22 ' A' ' 166' ' ' VAL . 12.1 t90 -100.27 151.32 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.7 152.18 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -177.34 6.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -134.59 -47.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.574 HG22 ' HB2' ' A' ' 175' ' ' ALA . 2.4 pt -84.32 179.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -168.18 79.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.718 HG22 ' HE3' ' A' ' 174' ' ' LYS . 54.6 m 60.41 96.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LYS . . . . . 0.718 ' HE3' HG22 ' A' ' 173' ' ' THR . 7.8 mttt 60.67 82.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.574 ' HB2' HG22 ' A' ' 171' ' ' ILE . . . -66.29 -38.88 88.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 49.8 m -60.16 170.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 21.2 mt -75.8 94.17 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.22 140.1 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -123.95 -95.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.83 179.06 5.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.454 2.103 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.72 -47.04 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 59.71 -178.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.578 HD12 ' H ' ' A' ' 183' ' ' LEU . 3.6 mp -58.1 125.49 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -106.35 45.03 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.65 137.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.88 87.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -62.59 141.39 58.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 81.8 p -83.62 123.9 30.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -88.87 97.07 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.4 -30.81 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.265 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.9 45.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.24 -30.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -110.55 32.0 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.17 91.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.02 148.94 97.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.49 173.11 12.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.544 2.163 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -127.94 -178.84 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.01 159.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.39 129.84 55.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.801 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.32 126.21 55.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 pt -149.9 145.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.37 -169.44 38.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -128.78 176.22 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.506 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -162.12 -177.81 35.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.6 154.58 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.518 ' HE3' HD12 ' A' ' 208' ' ' LEU . 17.9 ttpt -86.79 134.27 33.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.78 129.07 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.518 HD12 ' HE3' ' A' ' 206' ' ' LYS . 0.8 OUTLIER -154.04 131.65 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 209' ' ' GLU . . . . . 0.418 ' HG3' HD22 ' A' ' 208' ' ' LEU . 3.4 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.897 0.379 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -86.17 130.0 34.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -139.76 154.98 47.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.85 126.26 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.85 15.5 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.733 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.57 135.02 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.47 136.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.682 HG23 ' HA ' ' A' ' 206' ' ' LYS . 26.4 mt -146.38 139.87 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -116.8 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.24 133.99 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.67 155.04 23.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.332 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.29 140.62 15.94 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.614 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.26 121.0 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.9 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -126.18 144.09 50.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.727 HG12 HG12 ' A' ' 198' ' ' VAL . 5.7 m -151.73 126.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.98 107.21 16.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.14 -44.25 3.91 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.42 2.08 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.18 164.62 12.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.92 -31.93 31.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t 60.53 159.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.53 164.77 29.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -94.31 101.59 13.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -113.41 -50.92 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 tp -69.26 144.27 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -91.63 105.55 17.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -28.76 17.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 60.96 104.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.23 142.04 3.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.42 -62.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 64.03 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -134.74 173.43 11.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.46 73.89 0.41 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.7 109.42 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.574 ' HB2' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -112.56 -35.0 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.927 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 57.21 30.39 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.268 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 36' ' ' LYS . 77.1 p -73.71 102.32 3.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.6 t -127.86 -46.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.6 157.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -30.77 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.47 53.19 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 p -81.42 161.61 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -131.84 109.58 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 124.41 27.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.06 133.23 10.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.78 141.47 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.493 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 m -138.34 132.38 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.24 109.89 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.269 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -94.61 130.02 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.297 -179.539 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -114.28 100.86 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtt -61.06 131.01 49.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.0 97.3 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.005 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.8 -174.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.162 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -95.07 31.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.828 0.346 . . . . 0.0 110.564 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -150.43 -34.75 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.917 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 20.2 m95 -100.35 148.33 24.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.077 0.465 . . . . 0.0 111.708 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.06 112.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.07 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.6 142.27 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.332 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB3' HG22 ' A' ' 50' ' ' THR . 5.6 pt-20 -147.05 138.72 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 pp -106.4 134.83 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.39 155.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.259 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.86 119.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.09 162.73 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -88.97 127.57 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.93 179.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.414 2.076 . . . . 0.0 112.226 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -143.93 31.42 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.03 164.29 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -76.42 -38.23 55.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 62.8 -79.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 71' ' ' VAL . 10.3 p -154.43 68.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.77 36.8 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.98 -36.53 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -70.12 85.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.54 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.42 129.17 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.3 106.88 0.93 Allowed Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.83 105.6 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.78 44.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.44 -55.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 59.94 62.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.7 135.83 2.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.31 155.85 19.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -139.15 162.56 34.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.97 43.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -98.59 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 86' ' ' ASP . 2.3 pt -157.5 151.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.14 147.35 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.95 104.01 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.84 145.46 30.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.43 128.54 15.55 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.513 2.142 . . . . 0.0 112.236 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.37 165.12 31.41 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.422 2.081 . . . . 0.0 112.413 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 t -133.2 135.81 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.9 mp -96.71 151.88 19.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.73 114.22 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.787 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 114' ' ' LEU . 2.0 mt -80.33 139.28 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -131.44 140.48 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -139.74 149.83 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -104.73 89.33 2.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.99 -45.03 2.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.554 2.169 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ttt -126.07 32.37 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.1 113.35 4.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -127.89 -170.85 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.1 18.28 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -84.2 154.11 23.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.72 -52.48 25.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -84.71 140.94 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -132.51 96.65 18.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 137.14 33.57 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.47 2.113 . . . . 0.0 112.222 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -123.78 158.09 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.62 136.26 6.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.6 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -153.36 -157.25 7.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -144.55 139.02 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.912 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.58 168.67 15.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -145.08 135.8 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.069 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -145.72 150.74 36.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -158.68 113.3 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 m -121.14 156.78 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.2 m -85.82 -58.86 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -49.76 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.59 150.84 39.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t0 60.7 78.16 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.6 -28.94 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.56 -30.83 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.32 -38.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.5 t 68.38 -68.56 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -159.98 130.61 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -87.43 176.87 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -155.62 89.26 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 60.41 36.27 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -104.03 135.42 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -148.46 -126.7 1.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.76 30.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 p -111.92 -70.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.11 132.15 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 158.99 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.89 -177.9 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.66 161.58 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -115.31 112.69 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -99.49 31.82 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.5 m -101.79 34.79 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.95 126.23 29.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -117.9 154.53 16.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 tp -123.71 105.41 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -150.2 105.01 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.74 31.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.46 ' C ' HD12 ' A' ' 150' ' ' LEU . 2.6 tt0 -134.02 119.51 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 149' ' ' GLU . 9.8 mp -122.38 146.75 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.61 -175.98 35.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.19 161.16 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -119.76 136.69 54.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -141.2 100.94 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 130.23 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 156' ' ' LEU . 4.1 mp -111.73 -12.63 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.33 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 64.4 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.99 -30.15 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -109.09 33.75 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 205' ' ' TYR . . . 63.91 -170.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.85 128.27 55.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.433 ' CD2' ' HB3' ' A' ' 203' ' ' PHE . 8.9 m-85 -114.57 126.79 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -133.99 141.49 47.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.4 ptm -104.23 157.02 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -142.81 134.64 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -157.93 158.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.488 ' N ' HG22 ' A' ' 166' ' ' VAL . 9.2 p-90 -124.8 84.28 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.86 88.43 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 7.9 mtt -111.86 145.83 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.85 30.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.1 mm -88.83 138.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 105.23 11.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 -66.82 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.99 37.26 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 66.81 -73.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.3 t 60.74 32.39 20.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.6 tt -153.06 138.25 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -82.16 141.72 32.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 77.68 144.67 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 100.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.572 2.181 . . . . 0.0 112.214 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 182' ' ' ALA . 1.4 t 77.42 -54.39 0.54 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 181' ' ' SER . . . 72.07 40.32 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.959 0.409 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 116.57 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -109.71 -41.01 1.38 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.8 126.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.63 113.48 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.45 97.16 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 6.0 t -162.58 31.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -98.98 -37.38 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 190' ' ' VAL . 27.8 m -72.17 113.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.95 -54.1 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.58 69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.3 t70 61.57 18.67 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.4 t 51.57 97.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.37 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -97.86 143.81 26.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.11 127.17 11.8 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.569 2.179 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -82.15 -178.81 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.727 HG12 HG12 ' A' ' 16' ' ' VAL . 26.9 m -82.21 131.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -146.52 149.89 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.11 114.86 29.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.99 142.64 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.44 -168.74 18.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' A' ' 162' ' ' PHE . 28.9 p90 -161.88 166.94 25.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 175.99 -165.85 36.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 160' ' ' ALA . 0.6 OUTLIER -146.82 153.21 39.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.793 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.682 ' HA ' HG23 ' A' ' 8' ' ' ILE . 2.3 pttm -86.87 128.23 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.06 137.83 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.47 150.41 49.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -152.63 126.97 9.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 161.34 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -62.17 124.15 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.3 15.37 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.39 131.99 52.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' CE2' ' A' ' 51' ' ' TYR . 96.1 m-85 -96.87 125.21 41.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.43 146.3 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 pt -116.75 138.4 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.566 ' NH1' HG21 ' A' ' 50' ' ' THR . 3.7 mmt85 -140.79 136.1 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.53 149.63 19.88 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.85 -165.5 26.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -131.65 159.81 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.9 126.07 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 199' ' ' TYR . 9.6 t -73.45 149.15 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 17' ' ' ASP . 11.4 p -142.65 158.99 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' N ' HG22 ' A' ' 16' ' ' VAL . 36.3 m-20 -102.3 98.27 10.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.05 60.04 5.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.54 2.16 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.01 -47.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.36 -31.18 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 t -79.06 74.53 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -155.48 -46.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -122.01 95.0 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.47 75.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 27' ' ' LEU . 2.5 pt -150.47 -179.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 39.85 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' HB2' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -152.0 105.07 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.954 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.26 159.9 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.45 -111.1 3.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.9 92.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -141.06 -47.68 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -69.18 149.94 48.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.92 168.11 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.26 173.58 23.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -100.14 32.03 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 125.12 34.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.36 -51.84 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m 60.13 159.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 40' ' ' ASP . 12.4 m -139.02 -47.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -121.36 89.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 m -88.01 -58.67 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -97.64 126.58 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -116.4 144.96 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -157.51 125.93 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.47 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -99.41 99.95 2.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.4 tt -106.32 129.27 54.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 61' ' ' LEU . 1.2 p -138.45 132.96 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.53 110.37 20.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 60' ' ' GLU . 71.7 p -96.99 132.85 42.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CE2' ' CE2' ' A' ' 7' ' ' PHE . 7.4 m-85 -115.53 102.57 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.59 129.78 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 21.1 t80 -138.1 97.32 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.59 -179.52 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.34 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.72 33.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 -36.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.617 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -100.02 145.09 28.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.45 110.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 96' ' ' LEU . 4.6 m -101.1 145.93 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 50' ' ' THR . 0.5 OUTLIER -129.79 133.33 46.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 48' ' ' THR . 3.8 mp -100.79 150.5 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.04 145.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.23 161.02 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.92 152.57 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.8 p -140.12 85.75 13.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.36 95.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.564 2.176 . . . . 0.0 112.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.92 126.02 53.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -129.15 -46.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -76.58 103.65 6.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -129.89 135.1 47.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.52 99.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.11 -73.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 m -146.45 32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.81 101.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.0 -80.77 0.52 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.12 93.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.84 143.43 7.62 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.67 -177.4 3.36 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.58 69.89 0.76 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.8 mp -80.79 -178.02 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -151.0 140.82 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.1 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.74 100.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.19 86.51 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.03 134.59 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -98.12 37.24 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.82 147.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -132.18 162.67 30.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.94 168.01 18.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.75 148.81 74.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -51.52 152.79 11.67 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.304 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 135.09 26.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -118.13 114.27 22.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -105.67 153.83 21.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.24 133.6 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.3 tp -80.97 148.0 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -146.28 134.32 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -118.5 128.95 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.95 110.89 4.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.5 -51.01 6.94 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.483 2.122 . . . . 0.0 112.179 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 mtm -114.2 31.15 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.18 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.12 45.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.558 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 p -137.85 171.36 14.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -95.24 18.29 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 t -76.52 158.8 30.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.94 25.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 128.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -113.4 74.57 2.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.98 163.17 35.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.6 2.2 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.26 143.77 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.86 165.8 28.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.566 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.16 -151.17 19.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.549 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.65 167.64 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -155.76 -151.44 5.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m -121.82 146.06 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -131.34 151.07 51.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.64 143.88 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 121' ' ' PHE . 19.2 m -133.89 137.89 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.86 94.52 4.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 119' ' ' THR . 11.4 m-85 -101.69 -32.5 10.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.23 116.71 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -98.76 31.41 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -101.81 -31.69 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -46.36 57.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -41.1 99.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.49 -32.29 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.2 t -90.96 171.73 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.56 87.81 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -163.97 150.73 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -135.5 162.38 32.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 166.32 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -113.38 -44.99 3.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.52 -102.36 0.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.588 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -98.09 37.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -126.42 -45.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.6 t -74.15 127.59 33.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.9 mmt -79.3 146.89 32.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -135.56 115.6 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.24 -34.18 77.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -116.67 168.84 9.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.423 ' HB2' ' CE3' ' A' ' 144' ' ' TRP . 3.0 m-20 -116.11 18.88 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 m 52.46 29.95 7.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.784 0.325 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.423 ' CE3' ' HB2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -71.14 128.9 37.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.948 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -164.23 109.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.14 122.58 31.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.52 100.78 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -69.16 157.1 53.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.548 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -147.1 140.19 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.91 125.13 30.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.7 152.46 20.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.53 102.87 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.33 133.55 34.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -142.66 122.28 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 43.5 ttp -78.56 128.87 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -36.04 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 77.99 -4.57 2.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.691 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.98 -47.42 9.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -138.83 -32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -173.58 -155.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 161' ' ' LEU . 4.9 mp -116.44 132.47 56.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 0.2 OUTLIER -95.57 136.76 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -135.13 141.89 46.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.67 162.3 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -141.59 112.23 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.2 p -129.23 142.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -74.51 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.22 99.49 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -110.82 34.65 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.92 -31.57 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.512 ' O ' HG23 ' A' ' 171' ' ' ILE . 1.0 OUTLIER -130.16 119.17 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -171.01 83.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 26.1 m -118.13 115.9 25.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -118.82 31.46 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -137.99 114.23 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 -45.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 177' ' ' ILE . 1.3 pp -137.73 93.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -68.12 127.7 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 147.53 -82.84 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.457 ' HD2' HD12 ' A' ' 177' ' ' ILE . 53.9 Cg_exo -52.31 165.01 1.09 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 53.5 m -148.34 -62.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.16 20.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.1 85.99 5.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -161.17 -145.38 4.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 185' ' ' VAL . 11.1 m -80.41 87.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -74.91 117.23 16.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.817 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -69.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 2.1 t -145.49 83.35 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -152.57 -57.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 190' ' ' VAL . 13.3 p -142.93 45.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -83.0 -65.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.8 -14.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -83.67 57.0 3.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 194' ' ' VAL . 9.9 p -153.01 109.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.14 121.19 84.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.63 139.36 33.89 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.402 2.068 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -132.2 174.08 10.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.5 m -153.36 160.14 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.439 ' H ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -129.33 139.49 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.888 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.2 ttt -124.02 142.69 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.92 120.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.71 -172.73 26.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.428 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 50.0 p90 -137.62 162.56 33.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.07 154.57 25.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -127.2 155.97 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -86.76 139.33 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.84 130.79 44.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 208' ' ' LEU . 3.7 mm? -76.87 153.43 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.854 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.849 0.357 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -112.19 109.42 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.23 159.84 38.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.12 129.82 41.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.17 15.41 23.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.733 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.1 OUTLIER -91.55 169.56 10.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 0.0 110.79 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.41 123.45 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 206' ' ' LYS . 3.6 pt -135.47 120.83 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.002 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 pt -95.11 151.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -146.18 158.8 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.85 168.38 13.02 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.0 137.28 9.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' HE1' HG21 ' A' ' 43' ' ' THR . 0.7 OUTLIER -141.01 119.0 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.77 151.76 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 126.83 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.35 18.87 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.63 80.97 0.27 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 -28.06 26.47 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.469 2.113 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.36 143.87 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -93.48 -40.44 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -111.63 167.6 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.31 73.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -121.65 -1.3 9.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 60.96 31.51 19.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 pt -150.22 100.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HB2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.66 -36.71 43.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER 179.56 78.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.69 126.55 11.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.21 -54.81 4.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.549 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.93 -59.46 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.73 145.37 31.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.63 119.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -139.82 -48.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.48 78.76 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 p -75.37 148.83 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -136.31 -68.43 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 38' ' ' THR . . . -130.23 -67.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -159.67 -73.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -114.56 -36.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 32.95 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -39.46 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.4 113.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.468 HG21 ' HE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -103.93 161.18 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -115.58 129.45 56.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.5 122.04 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.7 118.27 6.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.704 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 pp -113.05 131.15 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.719 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.7 m -137.05 132.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.212 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -121.23 104.64 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 60' ' ' GLU . 2.7 m -97.69 146.01 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.368 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.64 115.61 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 1.4 mtp -67.86 124.56 23.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -136.27 97.21 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.995 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.94 -173.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.23 30.77 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.78 0.324 . . . . 0.0 110.512 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -35.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -96.41 138.77 33.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.104 0.478 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 108.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.063 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.71 141.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.743 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.6 OUTLIER -147.0 151.51 37.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.63 123.52 43.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.823 HG23 HD21 ' A' ' 95' ' ' LEU . 21.6 t -100.88 141.51 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -159.4 126.75 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.03 163.7 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.4 m -91.6 111.4 49.09 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.64 177.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.387 2.058 . . . . 0.0 112.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -81.4 175.53 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -154.52 90.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -138.05 86.72 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.34 157.36 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 71' ' ' VAL . 28.0 m -129.07 107.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.66 -169.4 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 73' ' ' VAL . 18.7 t -97.94 37.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -135.81 104.97 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.36 -49.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.541 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt -135.17 155.4 50.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.32 177.72 49.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 127.44 14.36 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.52 2.146 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.26 -171.54 24.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.24 154.8 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.82 103.95 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.8 -67.53 0.63 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -76.38 144.35 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.9 99.76 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.58 126.51 30.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.39 158.91 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.81 141.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 107.72 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 98.42 10.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.01 128.65 80.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.84 166.56 1.38 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.414 2.076 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 55.6 Cg_endo -69.87 158.28 57.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -72.22 134.96 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 tt -112.33 136.56 51.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.823 HD21 HG23 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -139.22 168.53 19.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.4 pp -130.28 134.43 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.81 152.02 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HE1' HD13 ' A' ' 96' ' ' LEU . 13.4 m-85 -133.23 127.03 32.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.487 ' CG ' ' CE2' ' A' ' 111' ' ' TYR . 3.8 p90 -135.58 79.52 47.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 -32.06 12.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.525 2.15 . . . . 0.0 112.369 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 tpp -104.16 31.87 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.83 98.15 2.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 106' ' ' SER . 7.3 t -103.86 -178.39 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.63 18.34 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.536 ' H ' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER -100.63 159.75 14.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.901 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.14 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -73.88 112.25 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.76 81.68 5.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.24 134.62 25.27 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.542 2.161 . . . . 0.0 112.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.487 ' CE2' ' CG ' ' A' ' 99' ' ' TYR . 9.5 m-85 -131.1 130.79 43.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.66 139.23 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.54 126.76 6.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.01 129.39 21.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.1 149.55 20.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.1 p -107.99 136.22 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -155.3 139.57 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 122.84 45.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.5 t -173.96 129.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.6 p -79.68 134.92 36.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.71 163.6 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.88 31.53 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -135.17 31.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.81 -31.49 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -30.9 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.37 -44.1 92.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.07 -47.56 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.7 p 58.33 177.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -135.34 90.89 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 60.7 23.88 13.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt 54.7 30.43 13.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -158.21 123.27 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 59.46 97.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -147.26 71.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -111.28 -74.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -72.2 -51.13 22.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.5 m 60.31 94.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.79 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.21 156.5 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.36 87.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.9 153.47 24.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -149.67 -47.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.2 m -166.92 171.67 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -151.9 147.09 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.26 170.09 17.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.467 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.1 pp -149.46 84.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.95 109.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -102.0 140.24 14.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -158.8 152.4 23.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 117.21 33.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.23 116.78 5.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.56 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.36 122.76 44.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.775 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -109.52 142.07 41.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.64 113.36 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 13.9 ttt -85.65 118.47 25.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 159' ' ' HIS . 4.6 mt -111.73 -2.89 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 65.34 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.774 0.321 . . . . 0.0 111.473 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -81.67 -29.68 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.455 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.444 ' HB3' HD13 ' A' ' 156' ' ' LEU . 6.1 t-80 -96.63 33.82 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.222 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 205' ' ' TYR . . . 55.51 -158.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.038 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.67 145.49 43.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.2 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.83 123.31 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 135.37 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -131.65 118.07 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.24 144.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -161.17 97.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -68.16 140.32 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 13.9 ttm -129.7 151.4 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.32 -50.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.17 179.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -101.43 130.39 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.6 m -91.62 109.48 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.32 84.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.32 77.95 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.1 t -134.13 -47.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 16.7 tt -108.45 147.45 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -65.95 150.5 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -111.72 92.9 0.67 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.54 -36.79 61.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.589 2.193 . . . . 0.0 112.31 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.3 t -174.65 -61.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -135.69 178.0 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.37 124.36 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -82.34 177.75 53.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.9 -179.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -158.65 177.97 10.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -147.41 -60.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 23.9 p -73.67 -35.65 65.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -179.27 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 19.1 t 65.01 89.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.31 47.99 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 194' ' ' VAL . 26.1 t 65.69 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.05 31.5 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 194' ' ' VAL . 21.1 m -93.01 97.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -117.36 139.87 26.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.15 -173.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.459 2.106 . . . . 0.0 112.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -95.86 112.81 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 27.2 m -96.13 154.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.51 140.68 52.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.792 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 3.3 ttt -101.18 115.8 31.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.3 mt -134.86 139.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -150.32 -166.97 13.96 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.583 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -123.64 -179.18 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.31 143.98 11.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 160' ' ' ALA . 1.9 m-85 -148.06 138.75 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.508 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -110.82 140.38 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.33 118.22 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.6 mt -109.09 119.36 39.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.933 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -74.5 97.38 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.3 146.95 51.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.98 130.33 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.26 15.45 35.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.646 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.15 152.14 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.812 0.339 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.49 131.51 56.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 206' ' ' LYS . 25.1 mt -134.08 147.82 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -120.62 150.76 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.95 145.4 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.61 151.18 23.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.41 -142.18 3.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.53 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -133.13 148.5 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 200' ' ' MET . . . -130.83 133.47 45.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -93.25 118.77 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.52 136.97 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -159.66 91.85 1.81 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.79 98.29 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.451 2.1 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t70 61.07 90.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.42 -51.44 20.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -106.43 119.51 39.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -104.25 -38.64 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.5 t -71.72 150.87 44.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -177.31 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.86 136.66 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -147.08 29.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt 58.87 94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -57.07 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.49 -165.34 27.15 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.603 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.53 39.52 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.307 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 104.9 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 62.4 118.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -145.11 -48.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.94 92.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 -47.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.96 142.79 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.76 67.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.53 153.43 19.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 39' ' ' VAL . 11.5 p -139.37 61.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -108.93 97.04 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -93.14 -57.36 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.7 97.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.2 m -112.15 110.99 21.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -82.88 162.87 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.21 138.84 42.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.2 115.81 4.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.573 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.5 151.81 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -145.91 147.65 31.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.24 106.66 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' OE1' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.82 135.52 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.997 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -114.69 103.65 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 122.44 19.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -134.83 97.33 3.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.28 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.73 -175.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.51 35.85 1.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.868 0.366 . . . . 0.0 110.44 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -150.17 -37.2 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.517 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 2.1 m0 -97.27 141.76 29.98 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.878 0.37 . . . . 0.0 111.324 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.78 100.53 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.306 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.71 139.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.156 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.642 ' OE1' HG23 ' A' ' 50' ' ' THR . 4.1 tt0 -124.02 141.19 52.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 92' ' ' PRO . 8.0 tt -104.3 147.37 27.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 t -127.81 141.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.91 170.17 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.19 163.67 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 104.32 11.74 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.34 127.39 14.86 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.401 2.067 . . . . 0.0 112.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.77 87.37 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -96.67 172.0 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -87.96 170.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.48 90.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.05 81.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.97 99.36 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.99 -56.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -104.27 94.61 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.25 -57.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.15 137.2 38.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.59 139.0 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 -41.37 75.3 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.484 2.123 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.28 45.81 29.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.6 -47.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.15 -56.84 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.24 -167.24 33.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.14 142.83 30.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.43 34.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -128.13 100.32 5.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.4 pt -92.82 -30.6 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -95.88 137.17 35.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.45 152.46 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.91 135.94 90.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 83.8 Cg_endo -78.29 128.28 8.82 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.364 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 61' ' ' LEU . 19.8 Cg_exo -65.5 165.11 23.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.496 2.131 . . . . 0.0 112.142 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 p -90.76 137.02 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 155.48 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.656 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.3 mt -135.0 124.74 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.14 129.05 34.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -122.93 153.41 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.6 138.45 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.407 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 17.4 p90 -136.74 91.17 15.8 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.95 -28.11 13.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.51 2.14 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.69 -27.57 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.28 43.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -135.12 -170.78 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' H ' HG22 ' A' ' 104' ' ' THR . 42.5 m-20 -93.6 18.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.311 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -73.82 151.74 40.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 -38.58 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -91.38 126.81 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -121.91 81.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 57.5 Cg_endo -71.1 159.44 52.26 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.369 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -172.83 173.39 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' HD12 ' A' ' 150' ' ' LEU . . . 162.96 162.53 13.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.95 -120.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.52 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 146' ' ' LEU . 14.1 mt -141.3 141.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.656 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -111.86 173.38 15.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.89 177.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.65 129.25 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -130.27 139.12 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.1 m -148.14 158.51 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.73 31.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -118.5 102.78 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.07 30.48 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.18 -29.17 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.8 62.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.17 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.67 68.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 66.6 m -94.72 94.05 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -172.3 77.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.3 -40.18 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -50.79 137.23 20.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -132.48 77.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.44 -47.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.19 -128.68 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.455 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.6 90.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.3 p -97.51 38.85 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -176.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.75 165.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -94.26 143.87 26.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.6 tp -110.55 -32.33 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.38 153.51 30.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.83 41.78 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.54 -57.24 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -103.9 175.91 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 115.12 -49.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -100.1 149.05 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.323 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -167.69 113.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.21 148.77 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.567 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 142.65 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.455 HD12 ' HA3' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -137.8 146.37 43.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -152.93 -179.49 28.51 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 18.3 m-85 -132.97 123.59 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -121.74 130.74 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 162' ' ' PHE . 17.5 p90 -150.75 148.35 28.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 38.2 mtt -74.54 133.11 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 162' ' ' PHE . 15.8 mt -101.14 -10.58 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.5 m120 69.44 -67.07 0.23 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.31 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -39.74 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 32.03 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.79 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 167.07 22.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.061 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.565 ' HD2' HD11 ' A' ' 156' ' ' LEU . 13.1 t80 -130.45 145.46 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.447 ' N ' ' CD1' ' A' ' 162' ' ' PHE . 10.0 t-20 -142.05 138.99 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 ttp -130.19 156.96 43.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 139.45 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.83 144.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.63 131.58 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.48 125.66 54.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 36.5 ttp -75.63 123.3 25.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.66 117.93 3.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 4.2 tt -177.46 -39.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.9 -54.75 3.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.4 p -111.52 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 31.31 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -175.11 147.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 54.3 m -162.3 127.18 3.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.91 128.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -82.71 125.83 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -161.06 92.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.38 141.86 52.73 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.29 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 22.7 t -109.3 -65.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -128.24 -62.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.12 173.05 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 146.37 138.16 3.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 185' ' ' VAL . 9.6 m -88.71 93.99 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -125.7 -70.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -72.96 89.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 165.52 27.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -95.15 141.8 28.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.94 -66.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.86 -59.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 192' ' ' VAL . 15.9 t 62.66 31.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -142.48 73.53 1.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 14.2 m -149.52 143.94 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.86 112.78 47.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.67 -178.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.063 . . . . 0.0 112.329 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -48.6 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.2 m -148.4 127.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -146.53 170.54 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.695 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 13.0 mtt -148.84 115.89 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.79 136.29 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -174.2 -164.08 28.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.7 164.99 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.64 -172.21 18.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.622 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -155.14 127.12 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.544 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.1 tttp -91.15 129.52 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -92.35 120.83 33.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.589 ' H ' HD23 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -67.95 157.64 34.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.698 0.285 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.97 97.7 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -158.48 179.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 133.17 47.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.97 13.2 11.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.712 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.07 161.32 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.78 0.324 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -148.47 145.41 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.503 HG23 ' HA ' ' A' ' 206' ' ' LYS . 6.0 mt -123.92 149.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.21 106.67 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.64 168.0 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.8 -130.84 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -142.15 149.7 40.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.46 145.62 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -106.38 125.61 51.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -136.27 152.11 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.56 82.5 0.22 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.41 -61.14 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.565 2.177 . . . . 0.0 112.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.01 166.88 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -106.41 -46.89 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.05 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m 60.61 31.63 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.29 129.78 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.24 84.71 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.2 tp -119.98 146.09 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 111.23 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -120.51 153.42 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -130.08 118.21 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.05 35.71 57.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.09 95.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.67 163.43 25.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.91 81.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 60.96 -176.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.12 -118.86 1.92 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.586 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 p -67.82 129.39 39.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.62 30.0 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.02 41.29 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p 55.88 175.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 m -115.16 -37.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 60.66 159.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.3 m -60.74 -41.98 96.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.94 31.18 19.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -133.22 121.2 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 135.26 54.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 117.1 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.759 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.62 138.97 23.9 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.597 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -134.96 138.81 44.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.707 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -143.53 134.5 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.048 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.07 125.96 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -106.33 139.21 41.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.43 100.88 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.516 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.59 120.08 16.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 t80 -137.96 97.1 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.114 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.65 -176.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.264 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.66 33.33 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.891 0.377 . . . . 0.0 110.401 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 -36.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 3.5 m0 -96.31 142.78 28.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.503 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.4 134.9 3.57 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.063 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' CD2' ' A' ' 61' ' ' LEU . 12.0 t -107.07 142.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.374 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -139.57 111.55 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.73 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' CD2' HG12 ' A' ' 59' ' ' VAL . 3.5 mm? -101.74 150.38 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.41 131.4 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -144.41 127.87 16.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.32 163.53 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -115.62 72.92 4.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.16 146.52 32.19 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.309 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.79 152.52 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.56 -70.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 109.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.3 159.62 14.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 72' ' ' ASP . 11.1 p -167.75 -43.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 71' ' ' VAL . 4.4 t0 -90.13 163.64 14.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.47 83.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.88 126.93 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.15 29.39 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.4 -34.53 65.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.28 91.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.57 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 -27.78 28.2 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.629 2.22 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.63 -174.64 23.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 80' ' ' LEU . 7.0 mp -95.52 125.29 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.58 175.47 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.88 49.99 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -69.67 -68.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.1 -31.21 9.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.69 179.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.03 -177.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 87' ' ' ILE . 7.2 tp -174.71 115.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.43 -44.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -104.47 92.85 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.78 110.19 2.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.02 131.49 12.06 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.349 2.033 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.97 131.33 15.46 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.407 2.071 . . . . 0.0 112.29 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.48 126.16 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.46 134.41 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.01 129.82 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.57 138.08 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.71 118.41 36.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.56 148.8 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -122.25 77.78 43.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.13 -51.0 11.21 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.0 mmt -115.11 32.47 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.48 98.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.5 52.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -118.21 -177.65 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -96.98 18.26 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -82.43 144.1 30.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -58.1 10.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -76.69 144.67 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.09 88.42 26.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.69 173.21 8.29 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.777 2.318 . . . . 0.0 112.153 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 38.9 p90 -160.38 130.03 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.23 129.59 20.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.48 124.6 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 129.69 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.532 ' CA ' ' HB3' ' A' ' 147' ' ' ALA . . . -103.84 145.66 16.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.38 153.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -140.33 118.46 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.63 119.34 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p 56.26 103.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 120' ' ' THR . 12.1 m -123.58 32.51 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -135.21 84.7 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 68.49 -68.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.7 t70 60.7 19.85 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -103.07 -71.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -71.25 -38.68 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.11 -29.65 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.78 -30.64 65.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.6 m -69.88 105.52 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.05 106.66 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -48.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -96.53 89.94 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -154.28 114.7 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.71 -48.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.14 61.41 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.86 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.12 100.04 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.2 p -120.55 98.77 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.8 mtt -70.61 -63.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 tttt 60.6 26.35 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mp 55.58 -175.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.64 39.47 21.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -141.58 37.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.7 p -122.55 126.65 48.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -73.97 164.68 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.34 -175.96 14.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.06 167.86 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.532 ' HB3' ' CA ' ' A' ' 115' ' ' GLY . . . -157.3 113.06 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.45 117.86 4.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -134.3 144.79 48.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 132.31 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -126.87 166.49 19.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -136.77 114.32 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.08 121.81 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.781 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.85 111.02 12.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.695 ' HB3' HD22 ' A' ' 161' ' ' LEU . 9.2 mtm -102.76 135.0 45.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mp -103.27 -37.16 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 76.2 -1.17 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -85.98 -45.09 11.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.865 0.364 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.15 -32.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.392 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -175.57 -166.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 155' ' ' MET . 4.3 mt -119.98 132.54 55.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.17 138.96 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.32 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.6 mtt -105.29 151.04 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -148.56 133.0 17.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.66 161.11 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -58.59 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.31 167.53 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -164.23 104.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.36 99.71 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.513 HD12 ' OD1' ' A' ' 172' ' ' ASP . 2.6 pt -110.39 -29.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASP . . . . . 0.513 ' OD1' HD12 ' A' ' 171' ' ' ILE . 1.3 m-20 -120.32 171.51 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 62.6 m -92.94 -30.35 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.94 91.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.28 120.96 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.604 ' HB2' HG11 ' A' ' 185' ' ' VAL . 18.3 p -157.84 136.98 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.414 ' O ' HG21 ' A' ' 185' ' ' VAL . 2.5 pt -91.66 151.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -69.03 115.4 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -151.65 75.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.24 121.84 8.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.63 2.22 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.3 m -163.85 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -138.9 -64.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' ' 183' ' ' LEU . 2.1 mp -72.0 -51.34 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 66.67 98.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.604 HG11 ' HB2' ' A' ' 176' ' ' SER . 16.6 m -61.12 179.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -85.62 -177.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' LYS . . . . . 0.66 ' O ' HG23 ' A' ' 188' ' ' THR . 34.0 tptt -150.15 151.11 32.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 187' ' ' LYS . 0.7 OUTLIER -168.58 92.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LYS . . . . . 0.479 ' HG3' HG13 ' A' ' 190' ' ' VAL . 0.1 OUTLIER -65.64 -31.59 72.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.479 HG13 ' HG3' ' A' ' 189' ' ' LYS . 16.3 m -112.77 179.52 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -137.38 -51.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 192' ' ' VAL . 11.0 p -154.18 59.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.96 -56.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 16.7 t -109.87 -24.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.81 133.3 56.9 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.44 159.17 43.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.469 2.113 . . . . 0.0 112.426 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.425 ' O ' HG13 ' A' ' 198' ' ' VAL . 0.9 OUTLIER -153.63 163.94 39.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 197' ' ' TRP . 6.2 m -155.79 135.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.53 127.23 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.691 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 22.4 mtt -111.84 124.09 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.64 139.92 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.36 159.75 26.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -121.87 179.73 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -177.45 -156.73 16.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.643 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.42 135.96 29.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.503 ' HA ' HG23 ' A' ' 8' ' ' ILE . 36.0 ttmt -92.35 140.85 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.55 125.47 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.73 131.05 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 149.07 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.76 139.07 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.64 15.39 53.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.699 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.48 146.53 50.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -108.47 121.52 45.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 52' ' ' MET . 3.9 mp -127.99 137.65 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 pt -102.23 153.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.02 137.51 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.02 156.84 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.0 -161.55 16.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -131.48 138.45 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 112.08 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.2 111.6 4.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.653 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.2 127.44 55.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.623 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.6 p -144.92 151.44 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.141 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 61' ' ' LEU . 36.1 p90 -132.96 117.39 17.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.52 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 60' ' ' GLU . 4.0 m -94.82 140.02 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.44 104.2 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.542 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.493 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.4 ttt -64.72 123.37 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -137.91 97.29 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.154 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.04 -175.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 32.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -34.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.665 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -90.57 149.19 22.24 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.987 0.422 . . . . 0.0 111.422 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.34 95.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.69 122.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.362 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.649 ' HB3' HG23 ' A' ' 50' ' ' THR . 2.0 pt-20 -132.57 147.97 52.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -108.19 135.14 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 48' ' ' THR . 13.5 m -105.26 139.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.67 146.5 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.97 163.61 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.775 0.24 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.46 115.47 22.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.67 140.82 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.99 118.38 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.424 HD12 ' HE2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -80.37 119.2 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.71 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.39 141.49 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.424 ' HE2' HD12 ' A' ' 96' ' ' LEU . 76.0 m-85 -128.14 150.13 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.78 80.97 14.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.93 -51.06 5.16 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.651 2.234 . . . . 0.0 112.259 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.9 30.96 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.43 131.21 10.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.12 37.84 0.91 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.9 t -122.86 175.18 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -95.43 18.37 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -77.99 147.52 34.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.71 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -124.09 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -143.75 97.77 5.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.435 ' HG3' ' CE1' ' A' ' 152' ' ' PHE . 23.9 Cg_exo -63.87 171.12 7.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.564 2.176 . . . . 0.0 112.229 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 10.2 p90 -163.29 155.2 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.0 129.36 9.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.3 155.79 20.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.496 HD12 ' CA ' ' A' ' 148' ' ' GLY . 0.7 OUTLIER -148.15 129.59 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.17 164.48 13.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.825 0.345 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.496 ' CA ' HD12 ' A' ' 114' ' ' LEU . . . -93.37 169.9 30.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.44 142.41 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.35 152.49 27.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -142.77 161.11 27.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.53 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -124.18 113.89 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -95.41 129.3 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -119.11 118.98 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.423 ' HA ' HD13 ' A' ' 161' ' ' LEU . 8.1 mtt -86.63 116.23 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.1 mt -111.42 -19.37 12.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.15 -69.92 0.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.35 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.43 -27.66 31.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.537 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.9 OUTLIER -99.28 26.76 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.182 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 64.43 -158.83 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 155' ' ' MET . 3.8 mm? -116.69 118.3 32.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.62 118.05 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -119.32 154.83 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.79 158.86 43.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.17 125.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 167' ' ' TRP . 21.4 t -136.3 158.25 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.464 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.781 0.324 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.42 120.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.38 127.47 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.38 -163.1 15.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -123.92 173.9 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.17 173.63 30.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.97 139.6 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -93.61 128.0 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 16.1 p80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -133.9 162.05 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.73 134.42 47.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.56 15.62 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.744 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.98 143.06 39.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -103.48 122.62 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 7' ' ' PHE . 22.1 mm -139.44 142.56 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.53 143.58 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.24 135.66 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.86 150.61 18.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.42 156.68 22.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.542 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.33 141.03 26.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.786 0.327 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.68 146.71 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.21 105.13 2.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.14 127.72 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 62' ' ' VAL . 61.7 p -136.49 148.21 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 111.264 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.77 109.81 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.451 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -94.86 127.03 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 111.396 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' VAL . 30.7 m-85 -118.24 100.77 7.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.329 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mtt -65.0 135.14 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.437 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.4 m-85 -136.95 97.18 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 68.85 -177.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.006 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.73 27.86 2.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -35.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.778 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -94.84 158.91 15.29 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.041 0.448 . . . . 0.0 111.51 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 158.08 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' HB2' ' A' ' 51' ' ' TYR . 8.6 m -148.7 138.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.944 0.402 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.77 150.34 51.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -116.99 150.39 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 95' ' ' LEU . 27.6 m -109.17 142.05 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.75 128.45 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.23 141.26 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.764 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.787 0.245 . . . . 0.0 112.312 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.7 m -72.92 127.75 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.33 152.04 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.605 HD13 HG13 ' A' ' 62' ' ' VAL . 3.8 mp -146.3 157.76 43.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.0 161.44 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -141.06 123.04 15.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -135.3 150.31 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -102.53 104.72 39.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.05 -51.05 2.42 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 31.08 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.65 152.72 25.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.92 28.07 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 106' ' ' SER . 8.7 t -115.38 -173.78 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -95.66 18.3 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.737 ' H ' HG23 ' A' ' 104' ' ' THR . 59.2 p -81.52 158.79 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.77 -59.38 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -75.84 143.49 41.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -128.52 107.29 19.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.84 174.05 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.413 2.075 . . . . 0.0 112.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 101.05 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.28 97.7 2.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.32 141.46 15.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -130.64 129.48 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.87 135.62 12.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.331 . . . . 0.0 111.137 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.529 ' O ' HD23 ' A' ' 114' ' ' LEU . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.14 132.01 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.75 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.74 122.25 47.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.72 153.32 16.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -123.07 99.44 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.49 143.42 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -154.04 120.43 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.0 ttt -64.63 130.64 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.679 HD22 ' CG ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -111.75 -19.97 12.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.285 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.2 -69.52 0.14 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.727 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.679 ' CG ' HD22 ' A' ' 156' ' ' LEU . 18.7 m170 -105.41 30.19 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.67 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 151.86 41.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -144.43 126.75 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.588 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -143.12 171.7 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.9 ttt -131.51 160.13 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.678 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -128.61 137.04 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.77 135.97 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.849 0.357 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.863 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.9 ttt -107.66 114.8 29.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.86 133.42 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.67 176.62 32.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.611 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -127.87 175.8 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.529 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -135.4 171.35 22.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.7 159.75 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 123.76 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.84 0.353 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -162.04 163.28 28.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.03 121.38 29.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.51 15.4 23.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.684 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.96 145.49 48.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' O ' HD13 ' A' ' 8' ' ' ILE . 81.5 m-85 -100.02 121.61 41.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 7' ' ' PHE . 16.6 mm -126.03 130.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.62 142.91 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -154.71 156.69 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.36 145.39 9.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.17 -137.19 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -147.68 161.9 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.415 HE21 ' HB1' ' A' ' 64' ' ' ALA . 8.0 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HB3' HG23 ' A' ' 65' ' ' THR . 15.5 tp -65.94 124.68 23.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.19 112.9 3.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.5 137.75 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.322 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 61' ' ' LEU . 62.9 m -136.33 136.96 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.078 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -127.7 108.07 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.692 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -104.13 128.34 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' HB2' HG23 ' A' ' 59' ' ' VAL . 2.6 m-85 -105.87 100.87 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 131.04 49.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.92 97.23 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.183 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.87 -172.62 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.286 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.0 31.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.497 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -150.4 -37.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 5.1 m0 -94.8 145.99 24.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.978 0.418 . . . . 0.0 111.469 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.87 128.85 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.355 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 51' ' ' TYR . 20.2 m -120.88 122.87 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -118.64 139.66 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 48' ' ' THR . 3.7 mp -107.85 147.3 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.62 124.94 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.39 149.85 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' HB1' HE21 ' A' ' 44' ' ' GLN . . . -133.55 161.51 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.3 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.843 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.81 0.254 . . . . 0.0 112.338 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.72 114.18 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 tp -106.67 128.02 53.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 96' ' ' LEU . 1.4 tt -114.82 128.31 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 116' ' ' VAL . 3.5 tp -80.32 149.06 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -134.96 131.74 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -130.58 150.18 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 111' ' ' TYR . 4.1 m-85 -107.38 76.04 0.49 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.27 -43.17 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.2 ptp -126.33 33.31 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.7 130.42 10.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.13 57.76 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.5 -178.61 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -96.52 18.43 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -60.9 143.36 55.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.93 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -122.02 127.98 50.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 88.12 2.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 134.89 30.47 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 99' ' ' TYR . 29.0 m-85 -125.14 139.56 53.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.62 146.45 48.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.516 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.52 119.84 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 114' ' ' LEU . 13.7 mt -131.17 129.59 41.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.84 117.57 7.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 96' ' ' LEU . 12.1 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.841 0.353 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -161.34 152.09 22.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.2 158.1 21.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.93 129.26 55.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.15 159.35 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.67 100.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.92 134.13 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -147.17 122.61 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 5.6 ttt -71.11 124.16 23.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -105.75 -4.09 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 64.81 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.72 -42.53 88.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.572 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -98.7 28.46 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.63 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 160' ' ' ALA . 2.7 mp -148.9 167.47 25.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.941 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.35 133.93 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.11 142.57 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 62.3 mtp -142.81 142.69 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.73 134.13 48.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.77 160.42 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.861 0.363 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 41.8 mtp -126.77 137.12 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 200' ' ' MET . 2.9 pt -157.17 133.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.38 -173.31 42.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.557 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -121.8 166.9 13.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.705 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -143.77 -167.61 11.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.65 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.539 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -157.7 122.58 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.011 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HG3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -89.61 130.39 35.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 6.3 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.813 0.34 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -152.88 -173.18 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 53' ' ' PHE . . . -70.24 115.49 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.48 9.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.772 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.51 123.93 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.958 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' HD13 ' A' ' 8' ' ' ILE . 31.9 t80 -115.07 137.98 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 7' ' ' PHE . 12.0 mm -139.27 146.16 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.74 121.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.91 138.14 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.78 112.93 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.42 -140.11 2.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.572 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -139.29 145.42 39.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 200' ' ' MET . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -81.62 102.58 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.62 114.21 5.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 45' ' ' LEU . 3.6 mp -117.42 127.57 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.4 m -146.0 144.69 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -113.08 125.48 54.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.76 121.95 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -136.64 103.09 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ptp -117.16 158.0 24.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.934 0.397 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -115.32 97.32 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.806 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 70.0 -169.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.73 45.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.09 -45.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -95.53 159.21 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.52 141.14 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.18 141.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 48' ' ' THR . 23.8 tt0 -146.95 151.56 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 111.382 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -130.02 125.0 34.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.665 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.421 ' HA ' HG23 ' A' ' 48' ' ' THR . 24.7 t -100.83 153.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.963 0.411 . . . . 0.0 111.352 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -163.83 124.28 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.69 163.64 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.271 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.872 0.28 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 133.15 47.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -108.7 123.38 48.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -122.6 130.31 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.755 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.95 129.12 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -111.89 141.18 45.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -149.55 133.97 17.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -141.28 94.63 7.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.6 -47.15 17.29 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.566 2.178 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.2 mtp -112.57 33.4 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.24 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.12 124.31 8.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.67 49.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 p -97.22 -170.82 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -95.11 18.37 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -94.9 174.36 7.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.57 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -76.62 117.06 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -113.32 110.61 50.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.04 137.19 40.25 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.425 2.084 . . . . 0.0 112.231 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -138.41 122.55 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.97 150.63 21.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 95' ' ' LEU . 2.4 tt -144.76 137.67 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.67 129.45 9.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.557 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.151 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.783 0.325 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.55 168.65 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.592 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -157.0 146.67 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.93 144.75 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.73 137.5 9.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -116.53 133.94 55.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 113.14 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -109.07 105.64 15.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.547 ' HA ' HD13 ' A' ' 161' ' ' LEU . 7.2 mtm -71.46 122.85 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.3 OUTLIER -111.5 -23.66 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.57 -69.67 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.88 -32.28 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.517 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.2 OUTLIER -108.95 30.7 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.573 ' C ' HD22 ' A' ' 161' ' ' LEU . . . 66.98 -145.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.795 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 160' ' ' ALA . 3.7 mm? -116.38 139.37 50.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.809 0.338 . . . . 0.0 110.645 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.68 120.73 36.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.013 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -110.58 123.5 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.8 mtt -116.93 155.12 29.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -151.13 103.67 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.34 120.95 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.233 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.77 0.319 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.563 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.7 mtt -115.07 123.41 48.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.48 142.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.0 -162.64 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 83.7 m-85 -121.62 175.7 6.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.738 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.54 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.38 131.46 4.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.602 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' ILE . 62.9 m-85 -116.15 138.02 51.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 8' ' ' ILE . 1.1 mttm -107.63 140.9 39.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.0 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.836 0.35 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -139.11 -178.41 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.77 127.23 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.64 15.36 8.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.703 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 123.68 25.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' OH ' ' A' ' 51' ' ' TYR . 48.4 m-85 -103.54 123.53 47.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -140.61 149.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 49' ' ' PHE . 7.1 tp -111.66 144.02 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -133.65 146.14 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.8 159.0 31.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.03 -142.44 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.554 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -143.85 162.0 37.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 110.765 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 19.0 mt-30 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.796 0.331 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.49 109.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 109.95 3.09 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.604 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 45' ' ' LEU . 78.7 mt -116.08 127.54 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.536 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 61' ' ' LEU . 87.2 m -147.45 140.47 25.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.22 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 9' ' ' ILE . 88.8 m-85 -120.81 115.4 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 97' ' ' GLN . 38.4 m -103.39 129.86 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.404 ' OH ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 t80 -111.59 120.02 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.579 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 127.46 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.64 97.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.062 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 71.53 -176.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.235 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.48 29.14 2.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -150.46 -36.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.678 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -93.7 146.31 23.94 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.005 0.431 . . . . 0.0 111.584 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.19 160.2 31.46 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.262 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.57 146.12 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 0.0 111.22 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -138.63 121.48 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -125.45 132.78 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 95' ' ' LEU . 21.5 t -110.6 151.78 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.24 126.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 44' ' ' GLN . . . -134.29 163.66 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 120.833 0.264 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 94' ' ' LEU . 4.3 mm? -96.66 136.44 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' CD1' HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -143.48 155.28 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.585 ' HB2' HD13 ' A' ' 114' ' ' LEU . 7.5 mt -109.86 168.17 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.412 ' OE1' HG23 ' A' ' 50' ' ' THR . 32.8 tt0 -136.6 120.37 17.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -128.96 120.79 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -55.4 109.0 1.34 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.95 -50.75 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 112.307 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 27.38 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.92 152.95 43.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.84 42.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.06 175.37 13.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -103.05 18.3 22.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -62.77 149.83 42.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.04 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -92.63 135.87 33.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.77 74.4 78.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.19 147.18 91.83 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.691 2.261 . . . . 0.0 112.159 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE1' ' HA3' ' A' ' 151' ' ' GLY . 43.3 p90 -142.36 153.4 43.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.75 155.92 17.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.549 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.47 132.04 6.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 96' ' ' LEU . 4.7 mp -112.38 129.61 56.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.486 ' HA2' HD23 ' A' ' 95' ' ' LEU . . . -90.18 128.87 9.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.549 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.736 0.303 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.41 137.6 9.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 152.89 51.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.4 127.63 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.412 ' HA3' ' CE1' ' A' ' 111' ' ' TYR . . . -119.89 166.73 13.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.553 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 152' ' ' PHE . 4.0 m-85 -131.01 128.71 40.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.97 139.84 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -133.67 126.59 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.764 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.8 ttp -102.7 115.01 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.5 mt -111.16 -17.18 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.0 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.04 -72.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.88 -28.13 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.105 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.56 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -102.35 32.25 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 59.0 -163.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -116.73 148.52 41.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.57 141.38 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.785 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -139.83 120.73 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.68 162.96 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -156.44 137.98 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.23 152.14 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.8 t90 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.829 0.347 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.0 mtt -143.41 119.39 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.19 126.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.36 -162.79 14.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.57 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.25 178.57 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.95 162.62 29.47 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.43 151.11 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 ttmm -113.47 133.17 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -105.8 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 116.99 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 116.11 15.59 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.702 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.76 147.08 43.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.52 124.26 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 52' ' ' MET . 2.0 mp -130.13 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.86 141.71 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -153.78 164.46 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.37 144.47 8.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.67 -171.45 15.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.93 161.96 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 135.86 56.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.4 97.98 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.666 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.0 tp -102.54 150.85 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 61' ' ' LEU . 24.3 p -150.85 155.83 39.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.403 . . . . 0.0 111.26 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.482 ' HB2' HD12 ' A' ' 61' ' ' LEU . 90.5 m-85 -128.36 117.07 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -94.78 125.35 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.316 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 4.6 t80 -111.04 100.92 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.505 ' HG3' HD11 ' A' ' 8' ' ' ILE . 3.1 mmt -69.11 127.59 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -137.93 97.24 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 69.3 177.78 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.204 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.12 33.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.806 0.336 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -150.41 -34.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.637 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.521 ' CZ2' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.52 149.88 22.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 111.487 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.55 119.18 0.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.69 149.34 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.344 . . . . 0.0 111.186 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -140.87 138.54 34.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' THR . 72.7 mt -108.04 150.43 27.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.51 ' CG2' HD12 ' A' ' 95' ' ' LEU . 21.9 t -113.41 140.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -142.16 137.73 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.36 163.7 32.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.862 0.276 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 114.26 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 128.95 51.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -134.89 124.87 25.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.75 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.521 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -90.8 131.99 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -125.7 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.88 150.24 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 m-85 -105.65 101.84 34.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 -51.11 5.98 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.539 2.16 . . . . 0.0 112.322 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.22 33.33 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.11 121.03 11.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.84 44.94 1.07 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p -132.06 -171.91 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -92.71 18.3 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p -73.12 146.57 45.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.06 -50.94 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -91.27 145.2 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.37 75.93 2.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.91 134.05 19.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 19.0 p90 -122.87 134.38 54.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.8 20.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.98 -147.0 7.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 152.48 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.22 178.92 16.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.862 0.363 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -66.57 161.98 45.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -168.23 139.79 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.04 128.22 44.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -121.28 149.19 17.35 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.404 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -108.04 116.92 32.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -95.05 109.44 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -119.5 109.42 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 161' ' ' LEU . 2.2 mtt -93.57 139.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -107.63 -38.36 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.67 -2.02 2.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.58 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 156' ' ' LEU . 6.6 tp10 -85.95 -44.11 12.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -136.26 -32.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.513 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -176.66 -163.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 155' ' ' MET . 9.6 mt -116.67 138.94 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.61 146.22 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.74 144.0 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.84 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.19 132.73 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 12.3 p -155.63 137.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.7 p90 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.2 mtm -112.23 129.83 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.03 141.57 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.73 -162.93 27.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.558 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -133.08 176.38 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.511 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.4 -161.44 13.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -156.29 159.66 39.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.06 137.23 54.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -162.27 153.21 17.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 132.98 52.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.49 15.4 32.3 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.739 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.17 147.02 53.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -120.11 115.47 23.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.3 mt -127.36 140.78 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -95.24 152.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.89 135.19 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.01 144.69 15.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.74 148.57 18.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.84 118.25 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.778 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.23 -179.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.62 103.89 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.2 111.3 3.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.41 127.49 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.749 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 62' ' ' VAL . 52.6 p -141.2 150.7 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . 5.7 m-85 -126.6 123.13 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.66 110.09 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 49' ' ' PHE . 12.0 m-85 -101.76 100.94 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 132.26 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -131.53 97.2 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.239 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.19 -173.77 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.268 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -94.71 33.02 1.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.635 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -150.25 -35.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.954 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -103.35 142.58 33.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.569 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -150.92 125.34 1.88 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.153 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 t -100.73 144.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.289 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.13 121.81 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.2 mp -103.28 148.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.919 ' HA ' HG22 ' A' ' 48' ' ' THR . 5.3 m -124.57 147.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.24 131.14 3.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 163.48 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' LEU . 29.2 p . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 N--CA 1.465 -0.175 0 CA-C-O 120.869 0.279 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.632 ' HB ' HG23 ' A' ' 62' ' ' VAL . 85.6 m -114.41 122.42 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.7 tp -97.69 140.54 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 tt -139.34 153.51 47.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -131.51 142.41 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.56 149.08 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -112.99 150.13 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HA3' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -116.62 78.75 9.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 -45.64 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.525 2.15 . . . . 0.0 112.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.62 30.59 5.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 99' ' ' TYR . . . -96.17 129.68 9.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.39 64.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.85 179.07 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -96.37 18.36 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.1 p -80.88 139.53 35.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.33 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.81 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 152' ' ' PHE . 0.4 OUTLIER -84.93 113.65 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -133.6 97.74 15.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' CD2' ' A' ' 152' ' ' PHE . 58.2 Cg_endo -71.63 -179.59 3.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.489 2.126 . . . . 0.0 112.195 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -175.82 169.84 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.75 163.63 30.99 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.14 93.9 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 114' ' ' LEU . 3.9 mp -111.44 135.24 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.38 137.95 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.426 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.51 146.16 18.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -146.02 157.21 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.55 132.28 54.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.74 141.49 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.652 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 110' ' ' PRO . 85.6 m-85 -130.35 104.3 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.761 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.75 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -127.93 121.31 29.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.471 ' HG2' HD11 ' A' ' 161' ' ' LEU . 19.0 mtt -79.5 110.34 14.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.88 -19.32 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.67 -79.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.19 -27.74 67.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -117.94 33.85 5.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.88 -147.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.55 141.78 47.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.813 0.34 . . . . 0.0 110.734 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.68 117.88 31.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -102.19 105.64 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 19.5 ttt -110.41 129.93 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.72 126.9 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.201 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.95 145.78 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.759 0.314 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.627 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 0.5 OUTLIER -109.72 117.18 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.56 145.23 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.7 23.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.85 166.3 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.442 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.79 155.18 26.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -159.56 123.91 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.766 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -87.85 139.82 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.7 m80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.13 147.21 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 138.96 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.38 15.48 47.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.716 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.18 139.13 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 8' ' ' ILE . 17.0 t80 -101.96 135.27 43.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -144.41 126.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.38 145.06 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -140.54 137.22 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.75 178.78 44.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.73 146.4 15.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -150.88 148.32 28.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 102.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.97 124.01 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.616 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.85 134.72 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -148.69 145.54 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -119.57 112.36 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OE1' ' A' ' 60' ' ' GLU . 3.6 m -96.12 138.49 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.13 100.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 8' ' ' ILE . 2.8 ttm -62.06 118.9 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -138.04 97.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.991 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.6 -176.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.5 31.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.723 0.296 . . . . 0.0 110.425 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -150.53 -35.91 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.827 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 21.9 m95 -97.63 150.71 20.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.036 0.446 . . . . 0.0 111.445 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.44 125.25 1.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.77 125.37 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE1' HG23 ' A' ' 50' ' ' THR . 1.1 tt0 -124.73 134.16 52.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 48' ' ' THR . 5.7 mt -115.64 149.87 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.4 t -107.76 143.66 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.9 131.54 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 163.69 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 93' ' ' THR . 71.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.726 0.219 . . . . 0.0 112.308 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 92' ' ' PRO . 1.2 p -158.95 126.06 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.81 128.0 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 115' ' ' GLY . 14.0 tp -124.38 122.45 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.659 HD13 HG21 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -85.7 117.54 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -106.03 139.26 40.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -149.76 150.07 31.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.96 107.4 18.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -44.62 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.422 2.082 . . . . 0.0 112.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 ttt -126.06 31.51 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.62 134.16 12.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.48 44.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.6 t -137.09 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -96.43 18.18 14.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.47 176.28 9.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.6 -39.02 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 51.2 p90 -87.12 123.4 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.84 110.61 33.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -51.85 170.95 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.234 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.37 110.94 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.6 101.49 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.42 151.59 18.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.98 137.87 12.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 95' ' ' LEU . . . -91.49 125.8 8.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.659 HG21 HD13 ' A' ' 96' ' ' LEU . 31.4 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -116.68 156.66 15.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.99 144.98 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.13 130.16 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.52 -179.12 19.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -138.59 138.59 38.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.47 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -109.46 120.65 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.7 114.05 25.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 159' ' ' HIS . 5.4 mt -109.25 -23.6 11.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.03 -73.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.7 -30.64 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.607 ' HB3' HD13 ' A' ' 156' ' ' LEU . 23.7 t-80 -116.9 33.76 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.41 -165.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 161' ' ' LEU . 3.1 mp -118.24 148.32 42.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 203' ' ' PHE . 1.2 m-85 -110.47 144.98 38.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.7 138.56 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.557 ' CE ' HD12 ' A' ' 201' ' ' ILE . 10.4 mtt -132.21 164.55 26.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.542 ' HB3' ' CB ' ' A' ' 200' ' ' MET . . . -157.88 138.49 12.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.66 146.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 m95 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.781 0.324 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.542 ' CB ' ' HB3' ' A' ' 165' ' ' ALA . 88.6 mmm -111.44 116.15 30.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.557 HD12 ' CE ' ' A' ' 164' ' ' MET . 1.3 tt -140.73 140.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.64 -167.54 13.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 162' ' ' PHE . 2.6 m-85 -122.02 -179.68 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.58 155.73 26.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -159.68 127.0 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -86.7 134.15 33.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 61.9 t80 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -145.08 157.51 44.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.07 132.96 41.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.68 15.44 29.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.707 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.2 153.37 42.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -111.82 147.58 35.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 52' ' ' MET . 17.0 mt -139.3 141.07 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.41 126.52 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.2 150.49 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.23 137.55 5.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.21 -132.11 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.552 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.44 161.73 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 65' ' ' THR . 1.9 mt -76.05 131.51 39.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.97 121.12 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.91 127.94 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.799 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.869 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.8 p -142.74 132.36 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.43 121.85 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.39 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.116 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 3.1 m-85 -113.85 126.56 55.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.659 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.478 ' HB2' HD11 ' A' ' 8' ' ' ILE . 3.5 ttm -96.44 125.84 41.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -135.9 97.31 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.03 -175.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.57 34.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.2 -35.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.647 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 5.4 m95 -101.32 142.19 33.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 0.0 111.439 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.89 130.18 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.076 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.38 148.92 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.326 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -146.93 143.65 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -136.06 150.38 49.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.95 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.869 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -114.24 139.4 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.74 119.39 5.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.45 162.56 24.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 6.0 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.809 0.254 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -83.23 115.68 22.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -105.36 142.17 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.62 153.08 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.88 142.45 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -109.92 131.29 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -132.64 139.85 47.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 49.0 m-85 -106.62 87.44 2.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.52 -36.62 8.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.532 2.154 . . . . 0.0 112.414 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 51.0 mtt -123.99 32.48 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.75 136.58 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.563 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.25 33.93 1.41 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -115.18 175.61 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.29 18.32 12.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -71.01 152.86 43.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.09 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.39 152.12 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 74.48 2.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.09 138.32 30.63 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.597 2.198 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 53.8 p90 -148.61 146.58 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.81 157.34 30.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.88 127.8 2.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 115' ' ' GLY . 0.5 OUTLIER -116.94 143.92 45.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.818 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.419 ' H ' HD23 ' A' ' 114' ' ' LEU . . . -114.72 153.65 17.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 94' ' ' LEU . 15.8 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.777 0.323 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.22 145.76 19.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.29 152.98 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.9 mp -111.93 132.27 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -125.35 142.38 13.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -131.14 117.96 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.11 151.87 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -141.01 127.31 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.4 ttt -98.39 119.5 37.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 160' ' ' ALA . 3.5 mp -103.72 -1.23 28.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.391 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.99 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 111.267 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.28 -35.29 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.285 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -97.49 33.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 156' ' ' LEU . . . 56.72 -163.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 161' ' ' LEU . 1.7 mp -116.79 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.8 149.06 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.496 ' O ' HD12 ' A' ' 201' ' ' ILE . 2.7 p-10 -132.69 150.16 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 ttp -131.46 147.39 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -135.93 123.14 21.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.9 143.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.0 m-90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.638 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 9.6 mtt -106.77 126.69 52.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 163' ' ' ASN . 5.3 tp -146.03 139.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -162.1 166.38 36.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.555 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.53 158.24 36.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.2 -173.76 37.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.33 138.87 46.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.16 104.57 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.812 0.339 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -157.36 154.32 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.36 119.68 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.83 15.44 7.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.724 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.26 138.95 40.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.762 0.315 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.68 133.4 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.6 mp -139.84 149.24 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 mt -121.86 152.13 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.93 150.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.53 159.31 27.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.374 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.15 -166.77 23.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.727 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -154.38 162.11 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.763 0.316 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 101.12 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.719 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.43 125.85 8.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.97 158.78 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 61' ' ' LEU . 69.1 m -149.87 135.51 18.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.73 104.69 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.533 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 60' ' ' GLU . 88.6 m -95.13 126.24 40.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.42 100.92 8.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 133.9 49.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.21 97.2 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.43 179.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.298 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.68 36.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.666 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -150.28 -35.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.717 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.518 ' HH2' HD23 ' A' ' 96' ' ' LEU . 49.7 t-105 -108.65 150.07 28.05 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.11 122.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.265 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.19 151.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 111.355 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HG2' HG23 ' A' ' 50' ' ' THR . 45.4 mt-10 -141.29 139.87 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 48' ' ' THR . 9.5 tp -102.67 150.41 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 143.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.84 160.1 33.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.26 144.87 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.839 0.266 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -115.21 142.68 46.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' A' ' 61' ' ' LEU . 3.0 mp -122.8 137.13 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.87 137.7 51.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.518 HD23 ' HH2' ' A' ' 57' ' ' TRP . 8.5 mp -102.35 149.83 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.81 130.57 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.35 122.69 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.4 p90 -134.32 97.45 14.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 -27.89 23.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 112.355 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 mtp -122.83 33.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.72 123.04 7.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.97 46.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.438 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -121.02 174.73 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -95.56 18.34 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.67 158.9 23.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.13 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.5 133.15 34.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.23 84.66 6.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 151.04 81.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.601 2.201 . . . . 0.0 112.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -140.58 146.41 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.0 105.79 2.91 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.32 140.95 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -139.44 150.41 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.27 143.14 16.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.822 0.344 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.73 137.19 41.67 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 146.09 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.593 ' HB2' HG23 ' A' ' 166' ' ' VAL . 10.6 mp -109.17 134.13 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.98 126.18 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.18 116.49 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 124.01 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -110.33 135.45 51.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt -102.63 110.23 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -108.31 -25.62 10.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -71.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -30.98 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.731 ' HB2' HD22 ' A' ' 156' ' ' LEU . 7.6 m-70 -113.52 31.06 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.51 -165.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.79 132.77 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -101.52 138.24 38.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.06 125.59 46.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.9 157.06 16.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -144.85 113.67 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 150' ' ' LEU . 4.3 m -131.89 168.97 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.614 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 7.2 ttp -100.98 121.0 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 15.5 tt -132.99 135.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -164.41 -172.63 32.12 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -142.18 163.43 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.568 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -170.0 -172.76 36.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -143.29 148.16 35.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 8' ' ' ILE . 37.1 pttt -107.77 139.31 42.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -163.42 -177.8 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.59 132.86 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.46 15.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -79.88 148.53 31.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -123.74 137.2 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HG2' ' A' ' 206' ' ' LYS . 41.5 mt -136.28 149.36 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.67 149.93 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.91 147.81 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.07 149.77 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.67 -149.41 6.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.625 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.38 161.29 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.807 0.336 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.39 145.54 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 107.24 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.719 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -115.02 150.61 35.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.663 0.268 . . . . 0.0 110.554 179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.52 ' OG1' HG12 ' A' ' 62' ' ' VAL . 25.8 m -154.84 148.24 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CZ ' HD21 ' A' ' 47' ' ' LEU . 64.3 m-85 -131.58 108.68 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 60' ' ' GLU . 2.8 m -94.7 116.14 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.9 m-85 -103.92 106.51 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ttt -68.55 127.66 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 5.0 m-85 -133.45 97.27 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 67.42 -172.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.95 31.12 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.524 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 -37.41 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.548 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.38 153.75 20.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.039 0.447 . . . . 0.0 111.318 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.32 104.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.16 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 m -100.6 151.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.348 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.6 mt-10 -136.15 111.59 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 51' ' ' TYR . 5.2 mp -96.25 117.63 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 93' ' ' THR . 35.8 m -100.94 147.4 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -138.2 120.37 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.75 160.2 33.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 67.8 Cg_exo . . . . . 0 C--O 1.23 0.119 0 CA-C-O 120.777 0.241 . . . . 0.0 112.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 62' ' ' VAL . 2.5 t -75.67 140.53 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 149.81 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.0 OUTLIER -137.4 126.63 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.445 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -96.55 142.14 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.628 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 41.5 mt-30 -150.51 164.97 34.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.456 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -148.98 142.73 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -67.07 109.89 4.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 -51.04 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.402 2.068 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.64 33.44 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -56.19 122.13 26.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.99 32.94 1.6 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -116.77 -178.39 3.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -99.17 18.31 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.437 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -85.67 128.69 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.0 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 106' ' ' SER . 42.3 p90 -71.33 129.36 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -100.49 97.57 6.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.56 140.91 44.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.429 2.086 . . . . 0.0 112.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -120.43 102.1 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.54 116.49 5.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -165.38 -153.55 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.848 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -146.26 149.42 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.838 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.868 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -98.67 177.73 30.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.759 0.314 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -59.54 170.43 6.1 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.61 140.59 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.68 126.55 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.41 151.66 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.96 92.55 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.99 132.37 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.99 117.74 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.3 ptp -92.62 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.33 -20.18 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.57 -68.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -28.43 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -120.78 32.81 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.046 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.76 -157.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.43 126.0 52.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.474 ' HE2' HD11 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -95.57 137.64 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -131.81 126.18 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.22 169.91 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -153.63 106.31 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.68 172.75 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.89 0.376 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.628 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -131.06 124.83 31.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.474 HD11 ' HE2' ' A' ' 162' ' ' PHE . 1.3 tt -136.23 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -166.01 173.28 41.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -137.02 158.6 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.2 -164.46 17.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -159.6 134.99 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.453 ' HG2' HD13 ' A' ' 8' ' ' ILE . 28.4 mttt -86.79 140.86 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 32.0 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.957 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.792 0.329 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 157.49 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.81 144.98 51.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.46 58.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.707 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.3 133.49 35.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -109.08 128.34 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.742 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.555 HG22 ' HA ' ' A' ' 206' ' ' LYS . 48.7 pt -138.72 148.51 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.267 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 20.8 mt -100.28 158.83 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB3' HG23 ' A' ' 48' ' ' THR . 3.2 ttm105 -162.73 148.2 12.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.89 146.1 17.09 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.323 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.39 165.18 12.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.693 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -148.84 107.62 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.826 0.345 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.59 133.57 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.93 125.61 8.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.615 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.8 127.45 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.316 . . . . 0.0 110.637 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 10' ' ' ARG . 11.5 t -146.7 151.93 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.15 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.59 119.24 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.84 132.17 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.0 100.93 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 125.67 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.19 97.24 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.239 179.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.02 -174.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.334 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.32 33.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -150.37 -36.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.831 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 10.4 m0 -99.55 137.77 37.57 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 121.057 0.456 . . . . 0.0 111.418 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.91 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.335 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.03 135.53 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.706 ' HB3' HG23 ' A' ' 50' ' ' THR . 3.0 pt-20 -141.5 144.44 34.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.911 HD21 ' HB2' ' A' ' 92' ' ' PRO . 2.8 tt -112.07 121.51 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.79 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.99 154.6 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.28 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.63 164.41 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.33 163.33 16.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.911 ' HB2' HD21 ' A' ' 61' ' ' LEU . 65.2 Cg_endo . . . . . 0 C--O 1.232 0.223 0 CA-C-O 120.821 0.259 . . . . 0.0 112.299 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -87.74 114.08 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -99.6 129.02 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 HG21 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -86.44 130.35 34.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -118.0 135.58 54.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -126.24 150.21 48.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.425 ' CD1' ' CA ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -99.83 97.25 5.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 -46.09 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.478 2.119 . . . . 0.0 112.267 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.79 29.86 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.425 ' CA ' ' CD1' ' A' ' 99' ' ' TYR . . . -75.21 94.05 0.9 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 104' ' ' THR . . . 168.53 44.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.573 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -167.75 -179.75 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -110.66 18.28 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.38 165.54 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.32 -34.68 31.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -70.96 112.14 6.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -112.86 82.77 5.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.13 161.84 44.49 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.545 2.163 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -156.96 132.68 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.82 110.65 4.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -92.24 138.58 14.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 113' ' ' GLY . 30.4 mt -141.68 136.93 31.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.62 129.78 9.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.396 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.436 HG21 HD13 ' A' ' 96' ' ' LEU . 24.6 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.907 0.384 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.84 165.17 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -142.97 154.43 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.1 119.57 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.14 134.42 11.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.18 102.6 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.81 142.65 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.46 150.83 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 mtt -77.2 128.87 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -109.98 -26.94 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 69.38 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.07 -45.67 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.15 31.16 3.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.75 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 64.16 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.74 153.77 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.804 ' HB2' HD23 ' A' ' 156' ' ' LEU . 5.7 t80 -128.11 143.5 51.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.75 157.13 44.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.245 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.27 172.04 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.695 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 138.03 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.6 m -144.66 131.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.415 ' CD1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.885 0.374 . . . . 0.0 110.794 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.881 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 32.5 mmm -114.57 115.59 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 199' ' ' TYR . 3.7 mp -141.8 145.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.44 -162.8 28.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.64 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.434 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 8.7 p90 -148.08 175.18 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 0.0 110.731 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.677 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -159.02 -165.37 15.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.778 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.414 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.7 OUTLIER -141.68 131.05 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.794 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.555 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -101.11 131.63 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.874 0.369 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -137.63 140.93 41.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 128.61 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.62 15.54 26.78 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.766 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 155.76 39.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 146.68 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' ' 206' ' ' LYS . 12.8 mt -144.11 145.34 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -113.6 123.19 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' NE ' HD12 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -134.66 167.94 19.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.03 146.89 9.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.99 -158.45 8.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.589 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -134.66 160.98 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.47 133.97 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.775 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.62 116.01 5.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.688 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.63 127.47 53.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.578 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -133.02 137.49 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.322 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -122.03 112.43 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.425 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.75 129.97 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 111.187 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.436 ' HB3' HG12 ' A' ' 59' ' ' VAL . 1.2 t80 -110.46 100.87 9.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.35 122.33 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -134.04 97.24 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.91 -175.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.228 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.43 33.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.78 0.324 . . . . 0.0 110.474 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -150.42 -37.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.725 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 96' ' ' LEU . 7.6 m95 -97.87 150.36 21.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.046 0.45 . . . . 0.0 111.517 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.03 109.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 51' ' ' TYR . 11.1 p -100.69 151.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -138.57 148.51 44.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.611 ' HG ' HD12 ' A' ' 94' ' ' LEU . 1.1 tt -129.38 122.47 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.9 152.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.281 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -158.39 124.63 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.57 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.715 0.215 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.46 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.611 HD12 ' HG ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -100.37 146.26 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.32 122.88 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 57' ' ' TRP . 5.7 tt -89.45 148.42 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -140.73 158.08 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 43.2 p90 -145.29 127.11 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.449 ' HA ' ' CG ' ' A' ' 111' ' ' TYR . 7.4 p90 -132.19 73.43 77.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' A' ' 111' ' ' TYR . 53.1 Cg_exo -55.04 -48.17 22.54 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.561 2.174 . . . . 0.0 112.418 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -27.56 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.92 94.65 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.19 57.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.572 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.63 -172.61 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -92.94 18.21 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -73.37 176.34 6.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.766 ' HB1' ' CE2' ' A' ' 154' ' ' TYR . . . -90.98 -64.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -92.47 141.82 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -131.62 90.53 36.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 58.8 Cg_endo -71.74 127.66 13.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.569 2.179 . . . . 0.0 112.261 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CG ' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -177.45 -164.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.95 -168.21 25.73 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -155.44 -118.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.752 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -134.03 172.99 12.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 110.976 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -131.87 -160.95 9.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 94' ' ' LEU . 12.3 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.09 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.845 0.355 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.23 136.94 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 119.54 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.8 tp -123.23 153.9 39.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -170.21 -152.04 7.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 82.8 m-85 -134.68 129.44 34.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.79 125.01 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.766 ' CE2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -99.48 106.4 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.7 mmt -102.85 103.79 13.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 159' ' ' HIS . 6.3 mt -111.74 -17.07 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.163 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 67.11 -75.86 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -29.48 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 156' ' ' LEU . 1.2 t-80 -100.52 28.19 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . 66.27 -170.46 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 205' ' ' TYR . 0.2 OUTLIER -142.42 139.22 31.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.404 . . . . 0.0 111.075 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.15 130.55 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -104.62 126.73 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.056 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.61 ' HG3' HG22 ' A' ' 201' ' ' ILE . 11.9 ttm -133.57 132.52 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.01 150.33 35.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.37 138.22 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.1 p-90 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 201' ' ' ILE . 52.7 p90 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.8 0.334 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 5.7 mmm -111.25 133.1 53.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.61 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.7 pt -139.96 138.81 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.68 178.58 44.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.614 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -139.82 164.73 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -166.68 -154.4 8.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.627 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.605 ' HA ' HD21 ' A' ' 161' ' ' LEU . 15.5 m-85 -151.6 159.72 43.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.657 ' HA ' HG23 ' A' ' 8' ' ' ILE . 27.2 mttt -94.44 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.62 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 138.95 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.89 15.52 39.14 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.712 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.19 144.0 34.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 137.35 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 206' ' ' LYS . 4.8 mp -141.83 141.23 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 pt -139.85 129.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 161.15 43.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.39 153.71 25.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.723 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -134.98 161.95 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.755 0.312 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.59 119.41 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.9 124.34 7.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.664 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 127.49 41.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.2 p -130.14 139.14 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.13 104.58 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.468 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.478 HG23 HE21 ' A' ' 97' ' ' GLN . 85.9 m -96.62 138.11 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -122.73 108.14 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.67 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.446 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.29 128.48 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 10.7 t80 -138.0 97.38 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.153 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.21 -177.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.187 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -92.63 31.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -150.51 -36.6 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.766 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -102.38 162.46 12.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.07 143.78 5.48 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.146 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 t -100.73 151.11 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.69 124.35 12.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.77 150.43 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.94 135.12 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.39 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.53 163.72 28.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 N--CA 1.465 -0.177 0 CA-C-O 120.853 0.272 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.3 125.65 29.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.07 145.35 38.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mp -146.61 135.72 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.95 133.2 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.478 HE21 HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -104.03 134.06 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -148.73 134.56 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -138.68 88.82 13.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.74 -50.54 12.23 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.61 2.206 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 33.33 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.03 110.96 4.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.8 57.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.26 179.59 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.63 -8.43 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m -57.56 147.6 26.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -81.96 124.22 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.79 111.89 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.764 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.79 150.57 78.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.381 2.054 . . . . 0.0 112.213 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -129.24 131.89 47.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.16 136.05 13.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.91 127.77 5.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.579 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 138.25 52.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 147' ' ' ALA . . . -85.77 132.35 11.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.486 ' HB1' ' HZ2' ' A' ' 167' ' ' TRP . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.839 0.352 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.86 159.53 19.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.667 ' OE2' ' HB1' ' A' ' 165' ' ' ALA . 55.8 tt0 -166.94 151.68 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.023 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.45 HD13 HG13 ' A' ' 166' ' ' VAL . 4.0 mp -113.82 147.65 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.49 124.1 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.632 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -104.87 102.99 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.12 139.97 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -128.38 124.16 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.6 mtt -93.65 110.17 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mp -110.52 -24.3 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.77 -74.72 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.42 -27.35 68.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 32.79 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.13 -157.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.6 145.91 43.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.01 120.47 40.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.37 121.6 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.625 ' HG3' HG22 ' A' ' 201' ' ' ILE . 3.2 ttt -110.98 161.63 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.667 ' HB1' ' OE2' ' A' ' 149' ' ' GLU . . . -146.87 145.97 30.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 199' ' ' TYR . 12.5 p -153.11 128.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.486 ' HZ2' ' HB1' ' A' ' 147' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.612 ' CE1' HG23 ' A' ' 166' ' ' VAL . 26.3 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.607 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 11.4 ttm -137.99 136.45 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 164' ' ' MET . 38.2 pt -143.73 140.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.74 -162.67 27.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -148.45 158.18 43.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.26 -177.5 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.401 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -131.47 147.59 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HB3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -120.59 119.85 34.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -136.74 -177.76 4.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.8 140.69 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.47 15.36 62.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.679 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.99 143.05 37.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.728 0.299 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.452 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -104.33 117.1 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.452 HD13 ' O ' ' A' ' 7' ' ' PHE . 24.9 mm -128.18 139.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' CE1' ' A' ' 49' ' ' PHE . 21.7 mt -124.4 127.93 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -138.33 140.89 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.47 154.31 25.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.65 -162.63 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -144.25 161.88 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.57 106.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.4 114.25 4.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.689 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.75 139.83 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.664 0.269 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LEU . 21.2 m -141.54 140.4 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.436 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' A' ' 9' ' ' ILE . 32.8 m-85 -117.49 105.71 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.398 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.07 31.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 111.317 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.54 101.67 7.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.423 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 126.38 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.407 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 4.1 m-85 -137.99 97.27 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.995 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.13 -172.98 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.202 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -94.91 29.09 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.831 0.348 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -150.47 -36.5 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.699 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -91.48 146.46 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.032 0.444 . . . . 0.0 111.42 -179.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.43 117.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.16 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.78 132.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.54 143.04 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.877 HD21 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -120.49 137.52 54.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 95' ' ' LEU . 30.9 m -105.6 141.8 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.46 139.13 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.01 155.65 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 N--CA 1.464 -0.241 0 CA-C-O 120.744 0.227 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.458 ' HB ' HG23 ' A' ' 62' ' ' VAL . 31.2 m -112.16 130.53 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.877 HD22 HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -96.62 139.85 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 94' ' ' LEU . 4.4 mp -135.91 126.5 27.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.88 132.32 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 131.44 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.979 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -126.8 150.2 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 43.1 m-85 -119.48 79.95 21.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.81 -50.79 2.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.637 2.225 . . . . 0.0 112.144 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 30.64 6.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.91 138.86 14.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.44 49.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -127.08 -176.2 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.469 ' H ' HG22 ' A' ' 104' ' ' THR . 37.8 t30 -95.72 18.27 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -89.9 155.34 19.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.74 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.31 121.14 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.07 89.24 6.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.42 163.18 38.99 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 37.4 p90 -171.94 159.39 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.23 165.41 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.392 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.53 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -149.68 155.97 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.623 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 113' ' ' GLY . 4.4 mm? -122.95 146.95 47.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.09 131.2 10.54 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.808 0.337 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.22 141.63 15.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 144.18 43.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.43 134.48 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -174.17 -145.89 5.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -165.71 163.97 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -124.64 146.11 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.412 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 7.6 t80 -100.69 125.95 47.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.99 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 154' ' ' TYR . 8.4 mt -109.4 -25.25 10.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 69.19 -67.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.27 -30.53 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.411 ' CB ' HD13 ' A' ' 156' ' ' LEU . 4.2 m80 -110.5 29.72 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.675 ' C ' HD12 ' A' ' 161' ' ' LEU . . . 61.92 -166.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 160' ' ' ALA . 6.1 mp -122.26 130.69 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -99.05 116.21 30.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.1 147.1 23.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.73 133.27 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -136.8 137.55 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -178.73 156.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.446 ' N ' HG22 ' A' ' 166' ' ' VAL . 12.1 t90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.865 0.364 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.32 126.21 55.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 pt -149.9 145.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.37 -169.44 38.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -128.78 176.22 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.506 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -162.12 -177.81 35.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.6 154.58 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -86.79 134.27 33.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.868 0.366 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -139.76 154.98 47.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.85 126.26 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.85 15.5 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.733 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.57 135.02 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.47 136.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.682 HG23 ' HA ' ' A' ' 206' ' ' LYS . 26.4 mt -146.38 139.87 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -116.8 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.24 133.99 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.67 155.04 23.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.332 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.29 140.62 15.94 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.614 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.26 121.0 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.893 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 124.41 27.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.06 133.23 10.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.78 141.47 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.493 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 m -138.34 132.38 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.24 109.89 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.269 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -94.61 130.02 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.297 -179.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -114.28 100.86 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtt -61.06 131.01 49.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.0 97.3 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.005 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.8 -174.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.162 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -95.07 31.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.828 0.346 . . . . 0.0 110.564 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -150.43 -34.75 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.917 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 20.2 m95 -100.35 148.33 24.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.077 0.465 . . . . 0.0 111.708 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.06 112.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.07 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.6 142.27 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.332 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB3' HG22 ' A' ' 50' ' ' THR . 5.6 pt-20 -147.05 138.72 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 pp -106.4 134.83 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.39 155.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.259 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.86 119.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.09 162.73 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.813 0.256 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 t -133.2 135.81 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.9 mp -96.71 151.88 19.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.73 114.22 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.787 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 114' ' ' LEU . 2.0 mt -80.33 139.28 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -131.44 140.48 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -139.74 149.83 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -104.73 89.33 2.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.99 -45.03 2.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.554 2.169 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ttt -126.07 32.37 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.1 113.35 4.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -127.89 -170.85 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.1 18.28 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -84.2 154.11 23.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.72 -52.48 25.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -84.71 140.94 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -132.51 96.65 18.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 137.14 33.57 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.47 2.113 . . . . 0.0 112.222 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -123.78 158.09 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.62 136.26 6.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.6 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -153.36 -157.25 7.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -144.55 139.02 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.912 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.58 168.67 15.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.069 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.74 31.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.46 ' C ' HD12 ' A' ' 150' ' ' LEU . 2.6 tt0 -134.02 119.51 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 149' ' ' GLU . 9.8 mp -122.38 146.75 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.61 -175.98 35.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.19 161.16 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -119.76 136.69 54.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -141.2 100.94 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 130.23 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 156' ' ' LEU . 4.1 mp -111.73 -12.63 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.33 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 64.4 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.99 -30.15 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -109.09 33.75 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 205' ' ' TYR . . . 63.91 -170.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.85 128.27 55.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.433 ' CD2' ' HB3' ' A' ' 203' ' ' PHE . 8.9 m-85 -114.57 126.79 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -133.99 141.49 47.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.4 ptm -104.23 157.02 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -142.81 134.64 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -157.93 158.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.488 ' N ' HG22 ' A' ' 166' ' ' VAL . 9.2 p-90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.11 114.86 29.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.99 142.64 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.44 -168.74 18.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' A' ' 162' ' ' PHE . 28.9 p90 -161.88 166.94 25.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 175.99 -165.85 36.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 160' ' ' ALA . 0.6 OUTLIER -146.82 153.21 39.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.793 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.682 ' HA ' HG23 ' A' ' 8' ' ' ILE . 2.3 pttm -86.87 128.23 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 p80 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.822 0.344 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 161.34 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -62.17 124.15 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.3 15.37 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.39 131.99 52.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' CE2' ' A' ' 51' ' ' TYR . 96.1 m-85 -96.87 125.21 41.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.43 146.3 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 pt -116.75 138.4 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.566 ' NH1' HG21 ' A' ' 50' ' ' THR . 3.7 mmt85 -140.79 136.1 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.53 149.63 19.88 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.85 -165.5 26.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -131.65 159.81 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.798 0.332 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.47 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -99.41 99.95 2.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.4 tt -106.32 129.27 54.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 61' ' ' LEU . 1.2 p -138.45 132.96 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.53 110.37 20.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 60' ' ' GLU . 71.7 p -96.99 132.85 42.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CE2' ' CE2' ' A' ' 7' ' ' PHE . 7.4 m-85 -115.53 102.57 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.59 129.78 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 21.1 t80 -138.1 97.32 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.59 -179.52 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.34 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.72 33.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 -36.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.617 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -100.02 145.09 28.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.45 110.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 96' ' ' LEU . 4.6 m -101.1 145.93 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 50' ' ' THR . 0.5 OUTLIER -129.79 133.33 46.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 48' ' ' THR . 3.8 mp -100.79 150.5 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.04 145.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.23 161.02 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.92 152.57 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.804 0.252 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -118.13 114.27 22.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -105.67 153.83 21.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.24 133.6 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.3 tp -80.97 148.0 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -146.28 134.32 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -118.5 128.95 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.95 110.89 4.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.5 -51.01 6.94 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.483 2.122 . . . . 0.0 112.179 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 mtm -114.2 31.15 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.18 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.12 45.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.558 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 p -137.85 171.36 14.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -95.24 18.29 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 t -76.52 158.8 30.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.94 25.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 128.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -113.4 74.57 2.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.98 163.17 35.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.6 2.2 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.26 143.77 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.86 165.8 28.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.566 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.16 -151.17 19.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.549 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.65 167.64 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -155.76 -151.44 5.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.817 0.341 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -69.16 157.1 53.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.548 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -147.1 140.19 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.91 125.13 30.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.7 152.46 20.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.53 102.87 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.33 133.55 34.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -142.66 122.28 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 43.5 ttp -78.56 128.87 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -36.04 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.99 -4.57 2.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.691 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.98 -47.42 9.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -138.83 -32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -173.58 -155.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.488 HD12 ' N ' ' A' ' 161' ' ' LEU . 4.9 mp -116.44 132.47 56.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 0.2 OUTLIER -95.57 136.76 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -135.13 141.89 46.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.67 162.3 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -141.59 112.23 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.2 p -129.23 142.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.888 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.2 ttt -124.02 142.69 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.92 120.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.71 -172.73 26.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.428 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 50.0 p90 -137.62 162.56 33.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.07 154.57 25.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -127.2 155.97 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -86.76 139.33 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 m80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.739 0.304 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.23 159.84 38.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.12 129.82 41.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.17 15.41 23.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.733 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.1 OUTLIER -91.55 169.56 10.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 0.0 110.79 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.41 123.45 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 206' ' ' LYS . 3.6 pt -135.47 120.83 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.002 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 pt -95.11 151.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -146.18 158.8 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.85 168.38 13.02 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.0 137.28 9.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -141.01 119.0 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.816 0.341 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.5 122.04 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.7 118.27 6.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.704 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 pp -113.05 131.15 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.719 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.7 m -137.05 132.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.212 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -121.23 104.64 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 60' ' ' GLU . 2.7 m -97.69 146.01 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.368 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.64 115.61 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.404 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 1.4 mtp -67.86 124.56 23.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -136.27 97.21 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.995 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.94 -173.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.23 30.77 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.78 0.324 . . . . 0.0 110.512 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -35.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -96.41 138.77 33.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.104 0.478 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 108.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.063 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.71 141.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.743 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.6 OUTLIER -147.0 151.51 37.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.63 123.52 43.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.823 HG23 HD21 ' A' ' 95' ' ' LEU . 21.6 t -100.88 141.51 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -159.4 126.75 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.03 163.7 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.4 m . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 55.6 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.806 0.253 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -72.22 134.96 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 tt -112.33 136.56 51.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.823 HD21 HG23 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -139.22 168.53 19.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.4 pp -130.28 134.43 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.81 152.02 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HE1' HD13 ' A' ' 96' ' ' LEU . 13.4 m-85 -133.23 127.03 32.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.487 ' CG ' ' CE2' ' A' ' 111' ' ' TYR . 3.8 p90 -135.58 79.52 47.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 -32.06 12.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.525 2.15 . . . . 0.0 112.369 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 tpp -104.16 31.87 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.83 98.15 2.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 106' ' ' SER . 7.3 t -103.86 -178.39 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.63 18.34 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.536 ' H ' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER -100.63 159.75 14.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.901 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.14 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -73.88 112.25 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.76 81.68 5.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.24 134.62 25.27 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.542 2.161 . . . . 0.0 112.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.487 ' CE2' ' CG ' ' A' ' 99' ' ' TYR . 9.5 m-85 -131.1 130.79 43.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.66 139.23 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.54 126.76 6.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.01 129.39 21.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.1 149.55 20.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.022 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.862 0.363 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -102.0 140.24 14.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -158.8 152.4 23.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 117.21 33.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.23 116.78 5.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.56 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.36 122.76 44.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.775 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -109.52 142.07 41.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.64 113.36 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 13.9 ttt -85.65 118.47 25.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 159' ' ' HIS . 4.6 mt -111.73 -2.89 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 65.34 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.774 0.321 . . . . 0.0 111.473 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -81.67 -29.68 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.455 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.444 ' HB3' HD13 ' A' ' 156' ' ' LEU . 6.1 t-80 -96.63 33.82 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.222 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 205' ' ' TYR . . . 55.51 -158.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.038 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.67 145.49 43.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.2 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.83 123.31 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 135.37 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -131.65 118.07 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.24 144.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.793 0.33 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.792 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 3.3 ttt -101.18 115.8 31.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.3 mt -134.86 139.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -150.32 -166.97 13.96 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.583 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -123.64 -179.18 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.31 143.98 11.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 160' ' ' ALA . 1.9 m-85 -148.06 138.75 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.508 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -110.82 140.38 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.3 146.95 51.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.98 130.33 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.26 15.45 35.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.646 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.15 152.14 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.812 0.339 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.49 131.51 56.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 206' ' ' LYS . 25.1 mt -134.08 147.82 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -120.62 150.76 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.95 145.4 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.61 151.18 23.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.41 -142.18 3.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.53 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -133.13 148.5 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 200' ' ' MET . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.21 138.84 42.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.2 115.81 4.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.573 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.5 151.81 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -145.91 147.65 31.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.24 106.66 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' OE1' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.82 135.52 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.997 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -114.69 103.65 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 122.44 19.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -134.83 97.33 3.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.28 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.73 -175.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.51 35.85 1.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.868 0.366 . . . . 0.0 110.44 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -150.17 -37.2 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.517 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 2.1 m0 -97.27 141.76 29.98 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.878 0.37 . . . . 0.0 111.324 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.78 100.53 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.306 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.71 139.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.156 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.642 ' OE1' HG23 ' A' ' 50' ' ' THR . 4.1 tt0 -124.02 141.19 52.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 92' ' ' PRO . 8.0 tt -104.3 147.37 27.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 t -127.81 141.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.91 170.17 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.19 163.67 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 61' ' ' LEU . 19.8 Cg_exo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.833 0.264 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 p -90.76 137.02 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 155.48 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.656 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.3 mt -135.0 124.74 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.14 129.05 34.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -122.93 153.41 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.6 138.45 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 99' ' ' TYR . 17.4 p90 -136.74 91.17 15.8 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.95 -28.11 13.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.51 2.14 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.69 -27.57 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.28 43.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -135.12 -170.78 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.435 ' H ' HG22 ' A' ' 104' ' ' THR . 42.5 m-20 -93.6 18.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.311 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -73.82 151.74 40.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 -38.58 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -91.38 126.81 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -121.91 81.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 57.5 Cg_endo -71.1 159.44 52.26 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.369 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -172.83 173.39 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' HD12 ' A' ' 150' ' ' LEU . . . 162.96 162.53 13.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.95 -120.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.52 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.1 mt -141.3 141.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.656 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -111.86 173.38 15.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.114 -179.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.21 148.77 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.567 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 142.65 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.455 HD12 ' HA3' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -137.8 146.37 43.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -152.93 -179.49 28.51 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 18.3 m-85 -132.97 123.59 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -121.74 130.74 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 162' ' ' PHE . 17.5 p90 -150.75 148.35 28.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 38.2 mtt -74.54 133.11 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 162' ' ' PHE . 15.8 mt -101.14 -10.58 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.5 m120 69.44 -67.07 0.23 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.31 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -39.74 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 32.03 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.79 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 167.07 22.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.061 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.565 ' HD2' HD11 ' A' ' 156' ' ' LEU . 13.1 t80 -130.45 145.46 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.447 ' N ' ' CD1' ' A' ' 162' ' ' PHE . 8.1 t30 -142.05 138.99 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 ttp -130.19 156.96 43.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 139.45 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.83 144.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 19.3 p90 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.695 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 13.0 mtt -148.84 115.89 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.79 136.29 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -174.2 -164.08 28.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.7 164.99 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.64 -172.21 18.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.622 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -155.14 127.12 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.544 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.1 tttp -91.15 129.52 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 75.2 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -158.48 179.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 133.17 47.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.97 13.2 11.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.712 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.07 161.32 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.78 0.324 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -148.47 145.41 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.503 HG23 ' HA ' ' A' ' 206' ' ' LYS . 6.0 mt -123.92 149.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.21 106.67 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.64 168.0 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.8 -130.84 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -142.15 149.7 40.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 117.1 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.759 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.62 138.97 23.9 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.597 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -134.96 138.81 44.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.707 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -143.53 134.5 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.048 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.07 125.96 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -106.33 139.21 41.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.43 100.88 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.516 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.59 120.08 16.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 t80 -137.96 97.1 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.114 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.65 -176.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.264 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.66 33.33 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.891 0.377 . . . . 0.0 110.401 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 -36.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 3.5 m0 -96.31 142.78 28.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.503 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.4 134.9 3.57 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.063 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' CD2' ' A' ' 61' ' ' LEU . 12.0 t -107.07 142.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.374 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -139.57 111.55 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.73 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' CD2' HG12 ' A' ' 59' ' ' VAL . 3.5 mm? -101.74 150.38 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.41 131.4 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -144.41 127.87 16.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.32 163.53 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo . . . . . 0 N--CA 1.466 -0.132 0 CA-C-O 120.835 0.265 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.48 126.16 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.46 134.41 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.01 129.82 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.57 138.08 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.71 118.41 36.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.56 148.8 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -122.25 77.78 43.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.13 -51.0 11.21 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.0 mmt -115.11 32.47 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.48 98.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.5 52.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -118.21 -177.65 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -96.98 18.26 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -82.43 144.1 30.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -58.1 10.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -76.69 144.67 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.09 88.42 26.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.69 173.21 8.29 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.777 2.318 . . . . 0.0 112.153 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 38.9 p90 -160.38 130.03 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.23 129.59 20.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.48 124.6 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 129.69 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.532 ' CA ' ' HB3' ' A' ' 147' ' ' ALA . . . -103.84 145.66 16.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.097 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.532 ' HB3' ' CA ' ' A' ' 115' ' ' GLY . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.817 0.342 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.45 117.86 4.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -134.3 144.79 48.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 132.31 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -126.87 166.49 19.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -136.77 114.32 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.08 121.81 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.781 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.85 111.02 12.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.695 ' HB3' HD22 ' A' ' 161' ' ' LEU . 9.2 mtm -102.76 135.0 45.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mp -103.27 -37.16 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 76.2 -1.17 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -85.98 -45.09 11.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.865 0.364 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.15 -32.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.392 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -175.57 -166.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 155' ' ' MET . 4.3 mt -119.98 132.54 55.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.17 138.96 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.32 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.6 mtt -105.29 151.04 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -148.56 133.0 17.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.66 161.11 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.852 0.358 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.691 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 22.4 mtt -111.84 124.09 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.64 139.92 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.36 159.75 26.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -121.87 179.73 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -177.45 -156.73 16.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.643 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.42 135.96 29.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.503 ' HA ' HG23 ' A' ' 8' ' ' ILE . 36.0 ttmt -92.35 140.85 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptt? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -108.82 162.08 14.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.17 149.07 35.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.76 139.07 58.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.64 15.39 53.0 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.699 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -70.48 146.53 50.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -108.47 121.52 45.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 52' ' ' MET . 3.9 mp -127.99 137.65 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 pt -102.23 153.38 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -161.02 137.51 8.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.02 156.84 26.96 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.0 -161.55 16.44 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -131.48 138.45 49.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.14 128.65 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 m -92.25 138.37 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 16' ' ' VAL . 11.4 p -177.37 64.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.079 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -148.28 136.42 11.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.78 102.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.432 2.088 . . . . 0.0 112.243 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -160.62 148.94 16.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -103.09 -53.83 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.6 m -92.98 153.3 18.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.5 m -132.26 112.23 12.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 p -70.23 95.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.95 83.25 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 mp -135.63 -66.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.62 135.22 41.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 HD11 ' HE1' ' A' ' 159' ' ' HIS . 0.9 OUTLIER -158.43 76.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 p30 -139.48 31.66 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.61 105.23 0.14 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.28 85.07 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.39 92.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.48 110.01 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -85.22 -56.94 3.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.57 -143.37 15.05 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.517 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.87 117.54 34.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.338 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -90.36 -65.54 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -145.81 -70.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -148.77 156.15 41.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 m -121.52 -42.61 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.58 119.22 28.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.11 -56.97 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -157.74 31.4 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.9 p -88.82 164.15 15.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 134.2 46.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.02 112.08 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.768 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.2 111.6 4.28 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.653 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 mt -114.2 127.44 55.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.623 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.747 HG22 ' HA ' ' A' ' 62' ' ' VAL . 16.6 p -144.92 151.44 38.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.961 0.41 . . . . 0.0 111.141 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 61' ' ' LEU . 36.1 p90 -132.96 117.39 17.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.52 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.649 HG23 ' HB3' ' A' ' 60' ' ' GLU . 4.0 m -94.82 140.02 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -110.44 104.2 12.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.542 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.493 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.4 ttt -64.72 123.37 19.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.228 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -137.91 97.29 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.154 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.04 -175.41 0.18 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.386 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -94.55 32.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.85 0.357 . . . . 0.0 110.592 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -34.75 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.665 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.426 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -90.57 149.19 22.24 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.987 0.422 . . . . 0.0 111.422 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.34 95.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.106 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.69 122.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.362 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.649 ' HB3' HG23 ' A' ' 50' ' ' THR . 2.0 pt-20 -132.57 147.97 52.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -108.19 135.14 50.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.747 ' HA ' HG22 ' A' ' 48' ' ' THR . 13.5 m -105.26 139.98 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.67 146.5 28.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.97 163.61 32.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 t -140.98 92.6 8.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -50.87 168.68 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.175 . . . . 0.0 112.364 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -119.81 124.52 46.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -161.43 100.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.8 m170 -129.78 155.37 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -115.02 167.72 10.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG13 ' N ' ' A' ' 72' ' ' ASP . 11.9 p -72.09 -44.9 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' N ' HG13 ' A' ' 71' ' ' VAL . 2.2 t70 59.45 -177.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG23 ' N ' ' A' ' 74' ' ' LYS . 11.4 m -155.66 -47.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.6 OUTLIER -178.69 131.31 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.1 80.13 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -79.94 -178.08 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.87 74.56 0.25 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.86 83.49 0.71 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.617 2.211 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.49 -72.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -146.96 143.0 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -83.6 109.35 17.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -178.4 -99.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.53 148.69 43.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 84' ' ' LEU . 0.5 OUTLIER -91.96 -19.52 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 84' ' ' LEU . . . 67.46 134.85 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.814 0.34 . . . . 0.0 111.087 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -126.33 157.39 38.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 87' ' ' ILE . 3.2 mt -126.91 44.26 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -144.01 37.12 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.46 142.05 57.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.76 131.36 22.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.29 153.94 36.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.5 2.133 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.14 145.63 49.76 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.59 2.193 . . . . 0.0 112.273 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.46 115.47 22.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.67 140.82 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.805 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.99 118.38 12.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.424 HD12 ' HE2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -80.37 119.2 22.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.71 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.39 141.49 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' HE2' HD12 ' A' ' 96' ' ' LEU . 76.0 m-85 -128.14 150.13 50.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -117.78 80.97 14.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.076 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.93 -51.06 5.16 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.651 2.234 . . . . 0.0 112.259 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.9 30.96 5.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -88.43 131.21 10.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.576 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.12 37.84 0.91 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.51 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.9 t -122.86 175.18 6.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -95.43 18.37 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.0 m -77.99 147.52 34.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.11 -30.71 68.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -124.09 152.11 43.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -143.75 97.77 5.38 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.435 ' HG3' ' CE1' ' A' ' 152' ' ' PHE . 23.9 Cg_exo -63.87 171.12 7.72 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.564 2.176 . . . . 0.0 112.229 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 10.2 p90 -163.29 155.2 17.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.0 129.36 9.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -127.3 155.79 20.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.496 HD12 ' CA ' ' A' ' 148' ' ' GLY . 0.7 OUTLIER -148.15 129.59 14.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.345 . . . . 0.0 110.925 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.17 164.48 13.67 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.4 m -114.66 138.43 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -117.34 109.01 16.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -114.02 171.48 7.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.676 HG23 ' HZ2' ' A' ' 144' ' ' TRP . 0.8 OUTLIER -82.25 178.48 8.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -152.62 38.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.78 107.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 60.21 161.48 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -163.4 141.96 8.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -76.82 -15.73 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.245 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -54.53 -50.46 67.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 111.093 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -31.55 71.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.83 -55.28 15.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.9 p -78.11 100.73 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -153.59 95.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ttm-85 -81.7 87.08 6.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -65.68 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -172.6 80.47 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 60.28 87.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -83.09 88.56 1.5 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -77.11 90.31 3.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.18 95.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.27 115.65 17.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -101.65 -54.03 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 131.46 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.1 mp -89.04 -55.0 3.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -129.99 140.82 50.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -119.77 72.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.76 35.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.676 ' HZ2' HG23 ' A' ' 119' ' ' THR . 0.0 OUTLIER -131.44 144.22 51.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 102.83 -105.26 2.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.64 152.62 45.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -173.22 76.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.496 ' CA ' HD12 ' A' ' 114' ' ' LEU . . . -93.37 169.9 30.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.451 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -163.44 142.41 8.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.796 0.332 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.35 152.49 27.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -142.77 161.11 27.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.53 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.435 ' CE1' ' HG3' ' A' ' 110' ' ' PRO . 0.1 OUTLIER -124.18 113.89 18.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.806 0.336 . . . . 0.0 110.817 179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -95.41 129.3 42.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -119.11 118.98 32.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.813 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.423 ' HA ' HD13 ' A' ' 161' ' ' LEU . 8.1 mtt -86.63 116.23 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.055 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.1 mt -111.42 -19.37 12.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.15 -69.92 0.15 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.836 0.35 . . . . 0.0 110.982 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -82.43 -27.66 31.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.559 ' HE1' HD11 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -99.28 26.76 5.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.182 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 64.43 -158.83 0.3 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 155' ' ' MET . 3.8 mm? -116.69 118.3 32.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.796 0.331 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.62 118.05 31.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.841 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -119.32 154.83 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.79 158.86 43.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.84 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -141.17 125.1 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 167' ' ' TRP . 21.4 t -136.3 158.25 38.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.464 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.2 OUTLIER -114.84 101.49 9.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.801 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -105.28 -31.71 8.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.4 -170.56 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -106.48 24.83 11.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.05 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -115.51 -27.03 2.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.524 ' O ' HG23 ' A' ' 173' ' ' THR . 4.0 t70 -60.05 114.55 2.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 172' ' ' ASP . 17.4 p -160.0 154.78 24.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.3 -44.4 10.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -86.17 158.68 19.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.7 m -147.89 -178.22 6.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 178' ' ' ASN . 4.5 mt -123.35 154.07 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 177' ' ' ILE . 41.0 t-20 -77.04 127.81 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -148.59 149.59 21.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.97 110.41 0.47 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.611 2.208 . . . . 0.0 112.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.99 90.27 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.45 98.88 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.8 mp -100.27 -54.45 2.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 103.91 -67.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 17.8 t -104.55 142.24 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -98.64 30.93 3.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.79 166.08 25.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 25.5 p -140.7 34.79 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.44 125.99 20.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 190' ' ' VAL . 5.1 m -62.99 83.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -40.83 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 30.9 m -133.22 31.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -97.18 39.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 195' ' ' ASP . 12.2 p -173.31 -41.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 194' ' ' VAL . 6.1 t0 -77.94 135.38 63.2 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.14 148.48 34.82 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.538 2.159 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -64.26 -64.66 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.0 m -133.1 140.72 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.62 122.71 15.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.42 120.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.38 127.47 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.38 -163.1 15.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -123.92 173.9 7.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.17 173.63 30.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.485 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -154.97 139.6 16.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.436 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -93.61 128.0 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . 0.451 ' O ' HD22 ' A' ' 208' ' ' LEU . 59.4 t80 -110.64 144.24 39.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.451 HD22 ' O ' ' A' ' 207' ' ' PHE . 1.0 OUTLIER -130.65 161.92 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.765 0.316 . . . . 0.0 111.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.4 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 16.1 p80 -83.78 93.07 7.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -133.9 162.05 33.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.73 134.42 47.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.197 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.56 15.62 29.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.744 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.98 143.06 39.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.798 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -103.48 122.62 45.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 7' ' ' PHE . 22.1 mm -139.44 142.56 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 pt -113.53 143.58 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.962 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.24 135.66 25.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.86 150.61 18.39 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.345 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -134.42 156.68 22.54 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.542 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.33 141.03 26.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.38 136.87 32.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 m -92.63 129.01 38.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.9 m -150.39 31.07 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.38 130.8 50.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.818 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.94 134.14 19.3 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.409 2.073 . . . . 0.0 112.337 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.83 -34.35 18.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -79.49 -38.73 33.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.7 m -75.46 136.34 40.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 92.4 p -132.39 -53.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.964 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.61 116.34 20.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 60.47 159.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.9 pt -67.31 175.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -80.2 138.53 36.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.5 -70.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -70.86 130.14 40.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 138.33 133.67 3.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.67 108.51 5.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -102.84 93.45 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -112.49 119.42 38.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -46.29 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.55 -51.7 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -141.04 -47.61 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -112.36 169.03 9.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.25 31.18 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 t -79.4 119.74 22.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.4 m -104.09 -30.13 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.73 154.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.83 -54.28 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t70 60.33 84.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.4 t -132.48 126.34 32.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.803 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -146.24 154.41 41.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.68 146.71 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.21 105.13 2.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.616 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.14 127.72 55.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.648 0.261 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.515 HG22 ' HA ' ' A' ' 62' ' ' VAL . 61.7 p -136.49 148.21 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.956 0.408 . . . . 0.0 111.264 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -111.77 109.81 19.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.451 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.4 m -94.86 127.03 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.993 0.425 . . . . 0.0 111.396 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HB2' HG23 ' A' ' 59' ' ' VAL . 30.7 m-85 -118.24 100.77 7.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.329 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.0 mtt -65.0 135.14 55.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.437 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.4 m-85 -136.95 97.18 3.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.806 179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 68.85 -177.33 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.006 -178.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.73 27.86 2.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.788 0.328 . . . . 0.0 110.628 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -35.76 0.15 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.778 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -94.84 158.91 15.29 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.041 0.448 . . . . 0.0 111.51 -179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.54 158.08 25.02 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.556 HG23 ' HB2' ' A' ' 51' ' ' TYR . 8.6 m -148.7 138.29 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.944 0.402 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.77 150.34 51.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.4 mp -116.99 150.39 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.605 HG13 HD13 ' A' ' 95' ' ' LEU . 27.6 m -109.17 142.05 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.256 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.75 128.45 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.23 141.26 38.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.4 p -129.77 101.16 18.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.764 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.44 158.87 55.03 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.451 2.1 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -104.04 112.37 25.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.25 159.05 43.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -116.46 -47.84 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -76.46 69.27 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.87 82.4 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.4 -45.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.35 -47.63 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.75 117.75 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.34 -104.33 0.64 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 76' ' ' LEU . 4.4 mm? -97.01 87.93 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 129.11 168.69 12.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.06 168.43 0.38 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.536 2.157 . . . . 0.0 112.384 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.64 140.23 15.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.24 168.02 21.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.355 . . . . 0.0 110.929 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -59.32 129.64 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 146.48 151.96 5.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -65.46 -47.13 77.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.8 tt 61.13 113.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.63 151.23 38.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -70.32 153.8 42.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -132.12 -61.7 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 mptt -118.83 123.81 45.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -111.03 159.95 17.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 pp -74.29 137.21 75.14 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.794 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.2 148.63 31.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.518 2.145 . . . . 0.0 112.352 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.38 127.68 10.61 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.536 2.158 . . . . 0.0 112.312 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.7 m -72.92 127.75 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.33 152.04 21.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.781 HD21 HD12 ' A' ' 146' ' ' LEU . 3.8 mp -146.3 157.76 43.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.0 161.44 14.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -141.06 123.04 15.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -135.3 150.31 49.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.822 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -102.53 104.72 39.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.05 -51.05 2.42 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.531 2.154 . . . . 0.0 112.185 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 31.08 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -86.65 152.72 25.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.435 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.92 28.07 5.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.54 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.737 HG23 ' H ' ' A' ' 106' ' ' SER . 8.7 t -115.38 -173.78 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -95.66 18.3 13.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.068 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.737 ' H ' HG23 ' A' ' 104' ' ' THR . 59.2 p -81.52 158.79 24.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.77 -59.38 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -75.84 143.49 41.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -128.52 107.29 19.01 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.84 174.05 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.413 2.075 . . . . 0.0 112.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.0 101.05 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.28 97.7 2.24 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -105.32 141.46 15.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.502 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 147' ' ' ALA . 0.2 OUTLIER -130.64 129.48 42.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 110.822 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -98.87 135.62 12.24 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.39 128.19 44.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.331 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -150.16 121.31 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -141.24 174.3 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 m -120.12 117.48 28.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.465 HG22 ' H ' ' A' ' 121' ' ' PHE . 0.2 OUTLIER 60.45 174.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.465 ' H ' HG22 ' A' ' 120' ' ' THR . 36.6 t80 -114.29 102.02 9.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -74.81 118.48 17.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -163.55 -44.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.59 -31.36 12.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -70.76 -30.05 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.5 mt -58.49 -31.31 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.9 -33.55 73.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 75.2 m -105.18 99.76 9.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.58 140.65 37.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.806 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -115.39 80.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm 60.32 163.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -99.61 40.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -114.32 156.87 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -113.69 -156.48 11.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.507 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -167.22 109.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.25 114.82 21.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.19 -63.13 1.47 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 6.4 mtt -146.64 176.37 9.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.07 88.1 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.6 tt -108.63 115.46 30.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -143.07 123.04 13.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -93.91 -65.84 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 5.9 t -170.9 173.52 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -97.16 160.33 14.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -95.61 18.98 56.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.761 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.781 HD12 HD21 ' A' ' 95' ' ' LEU . 12.0 mt 55.77 -172.31 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 111.05 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.529 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -147.87 -57.57 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.14 132.01 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.544 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.48 155.75 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.74 122.25 47.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -119.72 153.32 16.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -123.07 99.44 6.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.49 143.42 29.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.03 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -154.04 120.43 5.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.0 ttt -64.63 130.64 44.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.679 HD22 ' CG ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -111.75 -19.97 12.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.285 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 68.2 -69.52 0.14 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.05 -42.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.727 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.679 ' CG ' HD22 ' A' ' 156' ' ' LEU . 18.7 m170 -105.41 30.19 5.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.734 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.67 -84.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 151.86 41.99 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.887 0.375 . . . . 0.0 111.103 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -144.43 126.75 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.588 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -143.12 171.7 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.929 0.395 . . . . 0.0 111.229 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.9 ttt -131.51 160.13 36.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.678 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.863 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -128.61 137.04 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.77 135.97 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.92 98.46 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -64.97 -38.84 92.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.3 ttp -98.12 139.92 33.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -88.3 143.36 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 9.3 pt -98.39 30.78 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -129.41 -51.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 30.0 m 62.58 147.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.21 -40.77 2.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -105.01 177.49 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.3 p -126.79 -45.3 1.61 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.8 pt -73.21 154.41 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -77.7 127.42 32.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -148.34 74.14 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.35 90.71 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.577 2.185 . . . . 0.0 112.368 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.1 m -111.36 -33.29 6.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 61.15 86.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 183' ' ' LEU . 4.9 mp -85.29 -177.36 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -61.95 -152.67 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 28.8 t -127.5 -53.5 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 28.3 m120 60.87 163.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.23 176.28 12.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 5.0 p 49.67 87.35 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.72 153.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.7 m -125.05 178.68 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.086 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -122.78 -51.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.93 -66.71 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -156.54 -46.4 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.1 p -168.13 136.67 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.61 164.33 15.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.87 148.07 75.92 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.591 2.194 . . . . 0.0 112.352 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -118.81 94.47 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.58 118.51 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -129.7 135.43 48.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.863 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.9 ttt -107.66 114.8 29.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -116.86 133.42 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.67 176.62 32.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.571 -0.824 . . . . 0.0 112.611 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -127.87 175.8 8.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.529 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -135.4 171.35 22.61 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.7 159.75 33.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.95 123.76 39.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -103.68 152.25 22.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.39 149.44 36.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.867 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mtp . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.817 0.341 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -130.77 138.75 50.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -162.04 163.28 28.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.03 121.38 29.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.51 15.4 23.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.684 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.96 145.49 48.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.927 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' O ' HD13 ' A' ' 8' ' ' ILE . 81.5 m-85 -100.02 121.61 41.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.528 HD13 ' O ' ' A' ' 7' ' ' PHE . 16.6 mm -126.03 130.4 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.03 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mt -117.62 142.91 29.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -154.71 156.69 36.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.36 145.39 9.07 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.442 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.17 -137.19 2.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -147.68 161.9 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB1' ' CG1' ' A' ' 198' ' ' VAL . . . -116.58 130.68 56.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.14 117.98 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 17' ' ' ASP . 17.7 t -100.82 159.04 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.481 ' N ' HG12 ' A' ' 16' ' ' VAL . 2.1 m-20 -139.81 75.47 30.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.82 -45.72 0.95 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.554 2.169 . . . . 0.0 112.259 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -143.74 170.65 15.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -66.46 -37.12 84.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.0 p -150.08 -57.81 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t 60.83 49.46 6.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 p -166.06 156.4 12.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -93.44 128.73 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.536 HG22 ' O ' ' A' ' 25' ' ' ILE . 22.2 mt -97.64 38.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.073 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.91 163.0 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 61.31 -169.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.839 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 60.78 173.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.17 -50.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.69 38.24 18.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.95 167.39 20.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 145.0 56.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 60.9 112.15 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' O ' HG22 ' A' ' 35' ' ' THR . . . 81.48 155.11 13.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 34' ' ' GLY . 15.4 t 44.91 36.75 2.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.807 0.337 . . . . 0.0 111.404 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.04 141.79 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -73.01 -63.1 1.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.0 m 60.4 77.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.73 -66.62 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -101.75 31.69 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.0 m -100.2 -31.56 11.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.45 130.36 55.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.7 t -112.82 161.33 17.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.415 HE21 ' HB1' ' A' ' 64' ' ' ALA . 8.0 pt20 -95.54 120.42 35.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' HB3' HG23 ' A' ' 65' ' ' THR . 15.5 tp -65.94 124.68 23.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.19 112.9 3.85 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.532 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.5 137.75 40.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.775 0.322 . . . . 0.0 110.756 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 61' ' ' LEU . 62.9 m -136.33 136.96 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.078 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -127.7 108.07 10.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.692 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -104.13 128.34 51.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.177 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' HB2' HG23 ' A' ' 59' ' ' VAL . 2.6 m-85 -105.87 100.87 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.549 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 131.04 49.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.92 97.23 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.183 179.519 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 60.87 -172.62 0.13 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.286 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -95.0 31.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.497 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -150.4 -37.06 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.688 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 5.1 m0 -94.8 145.99 24.5 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.978 0.418 . . . . 0.0 111.469 -179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.87 128.85 1.76 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.355 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.458 HG23 ' HB2' ' A' ' 51' ' ' TYR . 20.2 m -120.88 122.87 68.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 111.132 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -118.64 139.66 51.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 48' ' ' THR . 3.7 mp -107.85 147.3 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.62 124.94 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.045 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -138.39 149.85 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' HB1' HE21 ' A' ' 44' ' ' GLN . . . -133.55 161.51 34.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.014 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.523 HG23 ' HB3' ' A' ' 45' ' ' LEU . 2.3 p -79.95 131.37 63.63 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.67 178.06 7.24 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.461 2.107 . . . . 0.0 112.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.66 31.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -67.92 155.87 38.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -114.94 -65.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -142.79 155.35 44.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 71' ' ' VAL . 10.9 p -173.19 112.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.038 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -147.96 122.8 9.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.84 -30.06 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -59.08 114.36 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.35 -96.71 2.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.07 124.46 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.33 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 166.55 153.94 8.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.429 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.92 128.93 16.58 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.593 2.196 . . . . 0.0 112.256 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.52 -158.2 39.17 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.603 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.5 pt? -112.86 140.13 47.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -112.45 140.74 46.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.48 159.15 18.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.471 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.0 mtmm -119.4 172.29 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 60.89 -171.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.51 -175.15 4.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.55 95.49 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.7 pt -115.48 152.72 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' HG2' HG11 ' A' ' 71' ' ' VAL . 3.9 tptt 60.17 103.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -132.41 166.81 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 mp -119.39 95.01 49.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.32 130.05 27.7 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.529 2.152 . . . . 0.0 112.216 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.64 147.44 51.17 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.465 2.11 . . . . 0.0 112.338 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.6 m -107.72 114.18 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.9 tp -106.67 128.02 53.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 96' ' ' LEU . 1.4 tt -114.82 128.31 56.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.676 HD13 HG11 ' A' ' 116' ' ' VAL . 3.5 tp -80.32 149.06 30.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -134.96 131.74 37.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -130.58 150.18 51.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.5 ' CE2' ' CE1' ' A' ' 111' ' ' TYR . 4.1 m-85 -107.38 76.04 0.49 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.27 -43.17 1.61 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.2 ptp -126.33 33.31 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.7 130.42 10.29 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 134.13 57.76 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.5 -178.61 7.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -96.52 18.43 14.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 24.9 p -60.9 143.36 55.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.77 -30.93 69.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -122.02 127.98 50.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 88.12 2.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 134.89 30.47 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.6 2.2 . . . . 0.0 112.299 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CE1' ' CE2' ' A' ' 99' ' ' TYR . 29.0 m-85 -125.14 139.56 53.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.62 146.45 48.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.516 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.52 119.84 2.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.561 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 114' ' ' LEU . 13.7 mt -131.17 129.59 41.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.84 117.57 7.05 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.676 HG11 HD13 ' A' ' 96' ' ' LEU . 12.1 p -142.75 135.32 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -147.5 142.92 27.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -113.79 171.85 7.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.2 m -124.78 -68.07 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 42.8 p -108.9 112.65 25.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -134.07 79.62 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.956 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -146.54 20.37 1.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.21 29.12 4.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.831 0.348 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.47 -33.67 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.99 -37.94 69.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.827 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.73 -38.6 82.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.72 177.78 4.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -143.9 117.8 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -142.52 145.55 33.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.83 33.08 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -102.78 121.02 41.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -104.6 146.76 28.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.19 -97.15 0.25 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 140' ' ' LEU . 0.5 OUTLIER 61.23 171.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.8 m -132.02 -51.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.03 128.18 34.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.9 mmt -67.58 160.62 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt 60.28 106.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -146.22 -47.08 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -85.37 56.7 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -173.11 35.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.0 t -134.06 127.49 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -127.57 142.84 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -62.94 -30.88 78.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 2.9 mt -159.13 177.84 10.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.787 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -124.19 -58.23 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -161.34 152.09 22.54 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.493 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.2 158.1 21.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 tt -117.93 129.26 55.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -93.15 159.35 24.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.67 100.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.92 134.13 39.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -147.17 122.61 10.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 5.6 ttt -71.11 124.16 23.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.572 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -105.75 -4.09 21.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.37 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 64.81 -77.95 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -58.72 -42.53 88.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.572 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.1 OUTLIER -98.7 28.46 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.705 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 61.63 -83.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.185 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 160' ' ' ALA . 2.7 mp -148.9 167.47 25.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.941 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -133.35 133.93 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.11 142.57 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 62.3 mtp -142.81 142.69 31.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.651 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.73 134.13 48.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 10.7 m -143.77 160.42 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.02 125.34 31.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -135.37 147.52 49.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.95 123.19 49.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.81 -176.99 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.9 mp 63.23 144.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -133.99 102.85 5.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 11.4 m -83.71 -67.51 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 58.17 67.8 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 57.49 72.86 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -163.16 79.2 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 18.8 tt -81.45 148.98 5.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -88.44 137.94 31.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -122.24 -86.35 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.493 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.07 63.04 3.34 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.61 2.206 . . . . 0.0 112.252 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 4.7 m -167.71 -50.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -131.77 128.85 39.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 3.4 mt -85.4 172.84 10.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 98.36 171.91 32.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.61 100.86 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.086 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -70.76 93.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -91.39 -50.79 5.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 44.7 m 60.44 103.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.74 -45.79 1.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.3 138.04 50.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.18 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.18 -60.56 1.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.9 -59.73 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.072 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.04 -67.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 7.0 m -141.99 132.24 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.46 106.1 27.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.8 140.66 43.09 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.375 2.05 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 26.0 m-90 -99.68 48.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 199' ' ' TYR . 21.7 t -95.12 156.35 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.435 ' N ' HG12 ' A' ' 198' ' ' VAL . 53.8 m-85 -129.46 169.77 14.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.651 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 41.8 mtp -126.77 137.12 53.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 200' ' ' MET . 2.9 pt -157.17 133.65 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.199 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.38 -173.31 42.78 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.557 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -121.8 166.9 13.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 110.779 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.705 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -143.77 -167.61 11.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.65 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.539 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.5 OUTLIER -157.7 122.58 4.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.766 0.317 . . . . 0.0 111.011 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HG3' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -89.61 130.39 35.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -91.55 143.68 26.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 mp -125.79 164.87 19.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.823 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 mmt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.841 0.353 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -134.65 135.4 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt -152.88 -173.18 4.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.928 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.432 ' HB1' ' CZ ' ' A' ' 53' ' ' PHE . . . -70.24 115.49 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.04 15.48 9.91 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.772 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -59.51 123.93 18.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.816 0.341 . . . . 0.0 110.958 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.801 ' O ' HD13 ' A' ' 8' ' ' ILE . 31.9 t80 -115.07 137.98 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 7' ' ' PHE . 12.0 mm -139.27 146.16 26.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.74 121.26 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -101.91 138.14 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.126 -179.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.78 112.93 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.42 -140.11 2.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.572 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -139.29 145.42 39.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' HG2' ' A' ' 200' ' ' MET . . . -135.53 131.58 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.6 120.78 42.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.619 ' HA ' HG12 ' A' ' 198' ' ' VAL . 21.5 t -136.86 -56.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.31 166.5 0.1 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.37 141.8 47.85 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.614 2.209 . . . . 0.0 112.255 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 60.82 112.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -62.88 -52.48 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -166.04 127.78 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t 60.31 106.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 t -76.17 -33.45 59.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.3 147.2 31.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 pt -61.83 99.5 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 177.21 4.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.819 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.81 150.88 43.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.39 158.65 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.52 116.79 1.4 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.7 31.37 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -122.3 137.14 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.79 131.61 24.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -89.74 -50.93 5.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.41 -132.37 4.57 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 t -158.31 78.92 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.58 160.62 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.07 92.45 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.08 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.07 84.18 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.03 -40.54 87.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 60.3 79.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -75.7 -41.85 52.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.51 122.45 27.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.19 168.82 9.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -120.06 163.86 17.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.503 ' O ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -81.62 102.58 10.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.62 114.21 5.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 45' ' ' LEU . 3.6 mp -117.42 127.57 54.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.4 m -146.0 144.69 30.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -113.08 125.48 54.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.73 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.76 121.95 36.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.087 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -136.64 103.09 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.573 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.9 ptp -117.16 158.0 24.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.934 0.397 . . . . 0.0 111.242 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -115.32 97.32 6.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.806 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 70.0 -169.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -91.73 45.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.762 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.09 -45.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.7 m0 -95.53 159.21 15.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.896 0.379 . . . . 0.0 110.933 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.52 141.14 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.715 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 t -148.18 141.15 18.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.662 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' HG2' HG22 ' A' ' 48' ' ' THR . 23.8 tt0 -146.95 151.56 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.916 0.389 . . . . 0.0 111.382 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 48' ' ' THR . 1.8 mp -130.02 125.0 34.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.665 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.421 ' HA ' HG23 ' A' ' 48' ' ' THR . 24.7 t -100.83 153.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.963 0.411 . . . . 0.0 111.352 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.401 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -163.83 124.28 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.946 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -107.69 163.64 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.271 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.427 HG22 ' CE2' ' A' ' 67' ' ' PHE . 37.7 m -125.9 89.38 52.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.798 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.73 143.93 27.81 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.575 2.183 . . . . 0.0 112.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' HG22 ' A' ' 65' ' ' THR . 13.7 m-85 -151.06 74.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -173.43 148.12 1.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.05 156.11 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -55.78 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.6 m 41.47 78.68 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.808 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -73.58 177.23 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG22 ' HD3' ' A' ' 74' ' ' LYS . 9.8 p -90.18 -25.66 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HD3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -156.89 -45.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.886 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.97 69.96 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.78 151.38 25.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.61 139.44 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.48 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.39 -30.77 7.95 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.511 2.141 . . . . 0.0 112.372 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 129.76 42.76 0.22 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -148.65 -54.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.822 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -88.6 137.87 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -104.55 -179.86 24.64 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -112.38 129.64 56.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 85' ' ' ALA . 1.5 tt 61.07 168.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.618 ' N ' HD23 ' A' ' 84' ' ' LEU . . . -57.71 171.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.27 121.68 13.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.06 97.27 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -172.89 -42.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -115.1 120.13 38.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 tt -121.24 96.89 47.94 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 43.7 Cg_endo -68.2 128.41 17.47 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.476 2.117 . . . . 0.0 112.275 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 31.3 Cg_exo -59.11 165.19 9.15 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.448 2.098 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.81 133.15 47.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.78 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -108.7 123.38 48.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD23 ' O ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -122.6 130.31 52.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.755 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.95 129.12 35.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -111.89 141.18 45.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -149.55 133.97 17.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -141.28 94.63 7.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.6 -47.15 17.29 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.566 2.178 . . . . 0.0 112.496 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 29.2 mtp -112.57 33.4 4.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.24 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.12 124.31 8.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 132.67 49.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.6 p -97.22 -170.82 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -95.11 18.37 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 m -94.9 174.36 7.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.9 -55.57 4.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -76.62 117.06 17.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -113.32 110.61 50.49 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.04 137.19 40.25 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.425 2.084 . . . . 0.0 112.231 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -138.41 122.55 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.54 158.06 49.97 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.97 150.63 21.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.618 ' O ' HD23 ' A' ' 95' ' ' LEU . 2.4 tt -144.76 137.67 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -93.67 129.45 9.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.557 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.437 HG13 ' HB2' ' A' ' 144' ' ' TRP . 21.5 t -124.06 138.98 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.725 0.298 . . . . 0.0 111.151 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -129.76 122.69 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -111.56 110.55 21.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.982 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.5 p -119.98 153.17 36.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 p -137.88 124.73 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -140.6 -179.5 6.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -156.88 67.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -115.25 -38.57 3.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.27 -31.71 17.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.79 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.62 -57.28 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.37 -31.17 71.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.44 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.267 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.54 82.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -124.76 -44.48 1.95 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -110.96 140.69 45.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -118.03 -43.48 2.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -106.29 82.57 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -75.28 -37.04 61.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 173.59 144.89 4.91 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -92.24 -43.67 9.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.4 m -136.14 143.22 44.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 103.57 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.3 mtm -121.82 -41.44 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.23 175.14 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 mp 60.14 177.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -126.28 152.95 45.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -98.93 31.66 2.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.1 t -92.94 117.98 30.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.437 ' HB2' HG13 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -75.1 159.99 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -167.27 84.05 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.82 -34.72 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.79 0.329 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -164.53 165.63 21.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -100.55 168.65 20.82 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.592 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -157.0 146.67 20.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.79 0.329 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -112.93 144.75 41.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -136.73 137.5 9.1 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -116.53 133.94 55.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.4 113.14 25.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -109.07 105.64 15.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.81 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.547 ' HA ' HD13 ' A' ' 161' ' ' LEU . 7.2 mtm -71.46 122.85 21.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.517 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.3 OUTLIER -111.5 -23.66 10.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.57 -69.67 0.15 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.88 -32.28 71.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.517 ' HB2' HD22 ' A' ' 156' ' ' LEU . 0.2 OUTLIER -108.95 30.7 6.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.573 ' C ' HD22 ' A' ' 161' ' ' LEU . . . 66.98 -145.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.795 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.573 HD22 ' C ' ' A' ' 160' ' ' ALA . 3.7 mm? -116.38 139.37 50.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.809 0.338 . . . . 0.0 110.645 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.68 120.73 36.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.013 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -110.58 123.5 50.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.772 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.8 mtt -116.93 155.12 29.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.027 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -151.13 103.67 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.34 120.95 56.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.233 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -76.08 139.49 41.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 61.09 107.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 5.6 tpp -177.06 108.59 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -176.12 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.8 mp -137.27 -53.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -154.82 156.34 36.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 3.1 p -126.21 121.17 31.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -131.79 35.18 3.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -71.79 153.39 41.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 18.8 p -177.24 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.036 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 4.2 mt -58.56 136.41 22.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.57 153.77 43.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -142.29 -75.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.39 -167.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.634 2.223 . . . . 0.0 112.295 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 54.1 p -90.57 -47.77 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -101.02 162.02 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.56 152.24 49.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -163.9 -108.02 0.21 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 186' ' ' ASN . 11.2 p -111.16 -45.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.847 0.356 . . . . 0.0 111.078 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.49 ' N ' HG13 ' A' ' 185' ' ' VAL . 1.5 m-80 58.13 -174.47 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.88 91.43 4.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 75.5 p -122.71 -48.95 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 32.1 mttt 60.1 -173.36 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.61 -36.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -154.77 -66.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.542 ' O ' HG23 ' A' ' 194' ' ' VAL . 8.8 m -147.66 -47.23 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 192' ' ' VAL . 2.6 m-20 60.88 29.54 19.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 192' ' ' VAL . 21.8 t -141.79 145.98 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -88.25 145.2 35.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.47 -170.67 0.61 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.595 2.197 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.1 m0 -156.8 -52.98 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 16' ' ' VAL . 18.5 m -112.98 127.8 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.101 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -140.17 134.93 31.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.563 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.7 mtt -115.07 123.41 48.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.3 pp -130.48 142.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.072 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.0 -162.64 20.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 83.7 m-85 -121.62 175.7 6.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.738 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.54 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.38 131.46 4.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.602 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.632 ' O ' HG23 ' A' ' 8' ' ' ILE . 62.9 m-85 -116.15 138.02 51.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.88 0.371 . . . . 0.0 110.995 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.405 ' HG2' ' CD1' ' A' ' 8' ' ' ILE . 1.1 mttm -107.63 140.9 39.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -89.94 153.74 20.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.19 127.55 53.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.906 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.805 0.336 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -116.8 91.21 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.79 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -139.11 -178.41 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.77 127.23 30.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 114.64 15.36 8.15 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.703 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 123.68 25.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' CE1' ' OH ' ' A' ' 51' ' ' TYR . 48.4 m-85 -103.54 123.53 47.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -140.61 149.43 21.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.504 HD13 ' CE2' ' A' ' 49' ' ' PHE . 7.1 tp -111.66 144.02 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.06 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -133.65 146.14 50.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.8 159.0 31.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.03 -142.44 5.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.554 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' HG22 ' A' ' 43' ' ' THR . 65.3 t80 -143.85 162.0 37.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.924 0.392 . . . . 0.0 110.765 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -113.42 129.78 56.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.4 p -91.63 139.27 30.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.3 m -139.73 178.58 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.3 82.4 18.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.79 -36.12 11.31 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.279 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.41 90.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.56 -68.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.7 m -99.94 124.3 45.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.95 158.97 17.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -80.46 125.77 30.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -161.78 156.48 22.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.813 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.9 pt -108.11 110.84 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.69 87.6 2.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 59.75 26.45 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.5 143.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.43 75.16 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.53 78.24 6.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 111.124 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -109.1 82.78 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -96.29 76.26 2.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 59.5 172.2 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.55 -171.24 43.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.29 -69.35 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.867 0.365 . . . . 0.0 111.057 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 175.1 8.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 60.21 75.15 0.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.9 m -100.02 117.8 35.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.14 -33.42 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -124.23 114.68 19.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -96.92 -23.96 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 65.64 93.58 0.07 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.826 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.525 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 1.9 p -108.33 130.1 55.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.416 ' HB3' ' HB1' ' A' ' 64' ' ' ALA . 19.0 mt-30 -77.13 118.4 19.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD22 HD21 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -59.49 109.87 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.791 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -70.09 109.95 3.09 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.604 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.497 HD21 HD22 ' A' ' 45' ' ' LEU . 78.7 mt -116.08 127.54 54.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.78 0.324 . . . . 0.0 110.536 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 61' ' ' LEU . 87.2 m -147.45 140.47 25.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.22 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.504 ' CE2' HD13 ' A' ' 9' ' ' ILE . 88.8 m-85 -120.81 115.4 23.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.526 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 97' ' ' GLN . 38.4 m -103.39 129.86 50.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 111.249 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' OH ' ' CE1' ' A' ' 7' ' ' PHE . 1.8 t80 -111.59 120.02 40.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.579 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.85 127.46 35.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.306 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -136.64 97.14 3.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.062 179.421 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 71.53 -176.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.235 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.48 29.14 2.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.741 0.305 . . . . 0.0 110.665 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HA ' ' CD1' ' A' ' 99' ' ' TYR . 0.7 OUTLIER -150.46 -36.08 0.15 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.678 -179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.431 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -93.7 146.31 23.94 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.005 0.431 . . . . 0.0 111.584 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -160.19 160.2 31.46 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.262 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.6 t -123.57 146.12 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 0.0 111.22 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -138.63 121.48 16.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.795 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -125.45 132.78 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.787 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' CD1' ' A' ' 95' ' ' LEU . 21.5 t -110.6 151.78 12.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.29 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.24 126.39 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 44' ' ' GLN . . . -134.29 163.66 29.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.18 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.6 p -111.31 98.14 38.6 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.814 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -49.63 -61.5 0.56 Allowed 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.525 2.15 . . . . 0.0 112.392 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -90.41 169.31 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.34 89.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -129.38 141.83 50.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -116.31 112.81 22.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 71' ' ' VAL . 11.1 p -162.32 120.94 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -157.11 -49.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.982 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.6 m -62.77 -36.69 76.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.56 116.36 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.06 36.8 0.3 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.33 172.94 7.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.81 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.06 -170.39 44.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.601 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.52 -27.57 32.89 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.677 2.251 . . . . 0.0 112.382 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 117.19 -120.66 4.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mp -123.55 133.96 53.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.0 38.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -122.83 40.07 2.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -75.93 124.65 27.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.9 tp -153.68 30.9 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.05 -164.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.037 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.513 ' O ' HG23 ' A' ' 87' ' ' ILE . 14.4 p30 -87.9 52.27 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.6 pp -158.87 133.21 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.08 -69.54 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -148.48 107.88 3.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.605 HD13 ' HB ' ' A' ' 87' ' ' ILE . 11.1 mp -106.89 93.52 9.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.823 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.88 143.12 59.66 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.492 2.128 . . . . 0.0 112.227 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.47 162.09 3.57 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.402 2.068 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.729 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 94' ' ' LEU . 4.3 mm? -96.66 136.44 37.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' CD1' HG23 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -143.48 155.28 44.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.585 ' HB2' HD13 ' A' ' 114' ' ' LEU . 7.5 mt -109.86 168.17 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' OE1' HG23 ' A' ' 50' ' ' THR . 32.8 tt0 -136.6 120.37 17.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -128.96 120.79 26.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -55.4 109.0 1.34 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.95 -50.75 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.363 2.042 . . . . 0.0 112.307 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.84 27.38 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.839 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -75.92 152.95 43.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.608 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 127.84 42.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.06 175.37 13.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 111.023 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -103.05 18.3 22.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -62.77 149.83 42.96 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.81 -31.04 69.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -92.63 135.87 33.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -127.77 74.4 78.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.19 147.18 91.83 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.691 2.261 . . . . 0.0 112.159 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE1' ' HA3' ' A' ' 151' ' ' GLY . 43.3 p90 -142.36 153.4 43.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.75 155.92 17.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.549 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -133.47 132.04 6.32 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.456 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 96' ' ' LEU . 4.7 mp -112.38 129.61 56.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.486 ' HA2' HD23 ' A' ' 95' ' ' LEU . . . -90.18 128.87 9.45 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.549 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.4 t -124.83 126.53 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -146.23 150.89 36.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.49 124.8 0.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 120' ' ' THR . 3.0 t -135.1 -50.08 0.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 119' ' ' THR . 2.5 m 57.43 80.57 0.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.947 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.35 112.8 7.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -114.36 150.58 34.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.5 147.42 24.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -95.22 -33.17 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.54 -59.79 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.21 -31.56 70.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.28 -27.25 62.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.219 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.83 139.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.48 31.34 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.985 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -79.4 -177.83 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.95 -45.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.43 -35.14 80.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.0 mm-40 -104.27 -31.17 9.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.5 115.27 5.16 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -91.08 -44.07 9.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.4 -174.25 2.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.95 144.26 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -64.87 109.57 2.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.45 139.8 52.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 22.6 tp -129.86 116.12 18.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.28 127.45 39.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 60.74 84.91 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 14.7 t -138.85 100.26 4.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 19.8 p90 -104.8 148.08 27.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.74 110.01 1.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.19 91.55 5.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -95.8 143.65 26.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.41 137.6 9.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 152.89 51.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.4 127.63 54.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.412 ' HA3' ' CE1' ' A' ' 111' ' ' TYR . . . -119.89 166.73 13.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.553 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.434 ' N ' ' CD1' ' A' ' 152' ' ' PHE . 4.0 m-85 -131.01 128.71 40.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.737 0.303 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -106.97 139.84 40.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -133.67 126.59 31.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.764 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 7.8 ttp -102.7 115.01 29.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 159' ' ' HIS . 1.5 mt -111.16 -17.18 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.0 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.04 -72.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.036 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -79.88 -28.13 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.105 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.56 ' HB3' HD13 ' A' ' 156' ' ' LEU . 0.3 OUTLIER -102.35 32.25 3.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.024 -179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 59.0 -163.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.6 mp -116.73 148.52 41.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -104.57 141.38 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.785 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -139.83 120.73 14.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ttp -115.68 162.96 16.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -156.44 137.98 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.193 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.5 m -140.23 152.14 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -120.45 118.41 30.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -127.87 87.59 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -112.42 -34.55 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -94.86 101.42 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.5 mp -140.18 80.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.028 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -104.88 98.44 8.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 82.2 p -107.73 -48.93 3.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -115.26 -68.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.52 52.42 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.2 t -67.11 100.72 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.3 pt -138.22 107.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -70.42 151.9 44.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.785 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 112.45 84.66 1.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.96 84.34 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.552 2.168 . . . . 0.0 112.278 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 58.7 m -145.07 61.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -143.65 163.22 33.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.96 101.11 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 62.26 -177.35 5.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 25.9 t 63.35 93.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.035 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.99 -69.08 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -134.48 130.26 36.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.4 m -142.9 128.97 19.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.96 156.04 46.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.8 m -145.04 161.79 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.47 -34.34 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.24 -13.49 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.526 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.82 74.76 0.39 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.901 0.382 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.91 -19.36 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 111.65 7.94 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.949 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.33 -41.02 3.86 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.397 2.065 . . . . 0.0 112.303 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 199' ' ' TYR . 1.0 OUTLIER 61.51 160.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.71 123.49 64.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.442 ' CZ ' ' CD1' ' A' ' 197' ' ' TRP . 55.5 m-85 -128.61 158.96 37.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 2.0 mtt -143.41 119.39 10.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.4 mp -139.19 126.5 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -163.36 -162.79 14.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.57 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -126.25 178.57 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.304 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.95 162.62 29.47 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.442 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -124.43 151.11 44.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.927 0.394 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 ttmm -113.47 133.17 55.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -64.35 141.76 58.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 17.7 tp -102.38 121.3 42.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.802 0.335 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -80.23 95.42 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -105.8 140.65 38.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.22 116.99 4.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 116.11 15.59 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.702 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -73.76 147.08 43.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.52 124.26 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 52' ' ' MET . 2.0 mp -130.13 149.37 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pt -121.86 141.71 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -153.78 164.46 38.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -169.37 144.47 8.66 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.67 -171.45 15.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.93 161.96 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.721 ' HB3' HG23 ' A' ' 43' ' ' THR . . . -86.59 149.88 24.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -110.11 122.99 48.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 16' ' ' VAL . 15.4 m -142.12 82.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -170.35 87.32 0.53 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.2 175.41 8.51 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.564 2.176 . . . . 0.0 112.307 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -145.41 -47.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.23 -31.52 70.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -31.68 71.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 p -105.28 176.85 5.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.1 p -162.68 179.38 7.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -160.28 152.78 20.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD12 ' HB2' ' A' ' 26' ' ' LYS . 2.2 pp -111.52 -31.91 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.215 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' HB2' HD12 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -147.14 111.37 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.52 104.06 7.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -138.95 92.46 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.59 -86.91 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.539 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.75 -45.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -157.02 -178.41 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.83 -173.32 3.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -39.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.45 39.92 1.56 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.6 m 62.02 151.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -75.1 79.81 2.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -123.49 -43.51 2.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.16 123.73 9.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.2 p -140.46 63.94 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.09 120.91 28.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.43 -35.8 14.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 60.18 36.48 20.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.721 HG23 ' HB3' ' A' ' 14' ' ' ALA . 49.9 m -99.76 151.64 21.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.09 163.9 29.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.16 135.86 56.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.809 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.4 97.98 0.7 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.666 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 2.0 tp -102.54 150.85 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.606 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 ' O ' ' A' ' 61' ' ' LEU . 24.3 p -150.85 155.83 39.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.945 0.403 . . . . 0.0 111.26 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.482 ' HB2' HD12 ' A' ' 61' ' ' LEU . 90.5 m-85 -128.36 117.07 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.517 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.3 m -94.78 125.35 39.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.316 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 4.6 t80 -111.04 100.92 9.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.457 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.505 ' HG3' HD11 ' A' ' 8' ' ' ILE . 3.1 mmt -69.11 127.59 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -137.93 97.24 3.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.987 179.268 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 69.3 177.78 0.26 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.204 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.12 33.86 0.95 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.806 0.336 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -150.41 -34.87 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.637 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.521 ' CZ2' HD21 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -99.52 149.88 22.78 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.021 0.439 . . . . 0.0 111.487 -179.244 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.55 119.18 0.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.139 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.69 149.34 6.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.821 0.344 . . . . 0.0 111.186 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -140.87 138.54 34.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 48' ' ' THR . 72.7 mt -108.04 150.43 27.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.51 ' CG2' HD12 ' A' ' 95' ' ' LEU . 21.9 t -113.41 140.16 35.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -142.16 137.73 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -140.36 163.7 32.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.59 85.2 10.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.427 ' HG2' HD22 ' A' ' 90' ' ' LEU . 61.9 Cg_exo -51.49 177.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.522 2.148 . . . . 0.0 112.325 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -160.21 129.23 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -79.26 134.45 36.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -104.65 -36.48 7.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -108.29 170.97 7.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 p -116.6 148.83 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.034 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -124.72 105.03 8.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 74' ' ' LYS . 15.4 m -153.83 -46.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -166.7 162.95 16.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 96.83 -27.67 17.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 77' ' ' GLY . 7.2 tt -68.0 -67.1 0.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.531 ' N ' HD23 ' A' ' 76' ' ' LEU . . . 147.74 -139.2 7.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.2 -45.54 33.02 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.532 2.155 . . . . 0.0 112.363 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 58.97 98.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.9 mt -142.37 34.18 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -159.98 150.77 19.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.95 153.71 20.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.0 mttt 60.85 31.36 20.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.358 . . . . 0.0 110.834 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.11 -62.82 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.97 30.57 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.502 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -123.56 120.29 32.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 86' ' ' ASP . 10.0 pt -157.94 -43.13 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.218 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.22 -47.18 0.39 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -89.07 143.82 26.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 66' ' ' PRO . 2.8 mt -106.04 154.21 39.69 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 30.1 Cg_endo -63.43 128.39 22.37 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.533 2.155 . . . . 0.0 112.248 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 32.7 Cg_exo -57.92 165.13 7.06 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.414 2.076 . . . . 0.0 112.383 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.46 114.26 8.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.678 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.74 128.95 51.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.51 HD12 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -134.89 124.87 25.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.75 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.521 HD21 ' CZ2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -90.8 131.99 36.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.997 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -125.7 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.763 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -121.88 150.24 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.965 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 53.6 m-85 -105.65 101.84 34.76 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 -51.11 5.98 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.539 2.16 . . . . 0.0 112.322 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.22 33.33 5.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.014 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -69.11 121.03 11.09 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.84 44.94 1.07 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.0 p -132.06 -171.91 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -92.71 18.3 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.298 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.2 p -73.12 146.57 45.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.06 -50.94 43.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -91.27 145.2 24.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.37 75.93 2.52 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.91 134.05 19.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 19.0 p90 -122.87 134.38 54.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.73 152.8 20.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.98 -147.0 7.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 152.48 35.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 110.897 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -120.22 178.92 16.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 4.7 m -147.99 126.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -99.14 114.52 27.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -62.6 103.45 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.809 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.93 72.55 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 76.6 p -129.86 115.64 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 124' ' ' GLU . 53.5 p90 -94.27 156.59 16.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -107.06 -32.72 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -130.53 114.46 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.424 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 7.6 pt-20 -94.7 -35.27 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.16 -41.78 76.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.76 -31.85 73.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.785 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.61 -31.59 36.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.7 t -85.28 171.04 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -122.48 84.76 2.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.89 155.44 42.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.88 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.43 41.98 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 61.14 68.58 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.25 31.26 4.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -136.21 38.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -69.31 -45.94 68.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.5 t -99.1 32.45 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 15.7 m -157.85 98.54 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.9 mtt -98.51 169.95 9.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -130.65 172.55 11.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.41 163.2 26.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -103.28 -176.54 3.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.13 -72.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 53.0 p 53.97 97.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -111.31 117.32 32.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 171.72 171.44 36.78 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 60.14 76.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.348 . . . . 0.0 110.818 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -129.7 102.42 6.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -66.57 161.98 45.23 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -168.23 139.79 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.04 128.22 44.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.415 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -121.28 149.19 17.35 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.404 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -108.04 116.92 32.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -95.05 109.44 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -119.5 109.42 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.646 ' HG2' HD13 ' A' ' 161' ' ' LEU . 2.2 mtt -93.57 139.85 30.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 158' ' ' GLU . 0.1 OUTLIER -107.63 -38.36 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.727 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 76.67 -2.02 2.77 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.58 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.438 ' HB2' HD12 ' A' ' 156' ' ' LEU . 6.6 tp10 -85.95 -44.11 12.64 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -136.26 -32.55 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.513 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -176.66 -163.62 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.694 0.283 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.646 HD13 ' HG2' ' A' ' 155' ' ' MET . 9.6 mt -116.67 138.94 51.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.61 146.22 24.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -139.74 144.0 37.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.82 163.84 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.984 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.19 132.73 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.486 HG22 ' H ' ' A' ' 168' ' ' TYR . 12.3 p -155.63 137.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 6.0 p90 -123.69 40.86 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.486 ' H ' HG22 ' A' ' 166' ' ' VAL . 17.6 t80 -136.03 82.54 1.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 4.6 ttt -125.86 136.01 52.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 19.2 p30 -83.75 -178.16 6.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.665 ' H ' HD13 ' A' ' 171' ' ' ILE . 0.2 OUTLIER -139.92 139.01 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -132.53 31.21 4.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 27.2 p -88.1 -38.92 15.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.17 -28.82 67.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 63.71 -79.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.5 t 60.07 108.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.33 128.96 64.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -82.69 145.68 29.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -112.58 -114.73 3.32 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.48 139.19 65.96 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.45 2.1 . . . . 0.0 112.381 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.7 m 60.08 84.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -105.97 114.64 28.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 5.7 tp 60.61 166.4 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 154.85 -105.9 0.28 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 186' ' ' ASN . 12.0 p -114.24 155.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.09 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.429 ' N ' HG22 ' A' ' 185' ' ' VAL . 1.3 m120 60.64 99.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.9 164.98 11.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 189' ' ' LYS . 7.1 t -61.83 -48.08 82.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . 0.434 ' N ' HG23 ' A' ' 188' ' ' THR . 0.0 OUTLIER 56.76 24.97 9.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 188' ' ' THR . 26.2 m -157.39 179.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 59.36 81.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t 61.11 88.05 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -149.14 -57.06 0.2 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.6 m -150.09 80.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.4 154.48 44.51 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 155.77 59.29 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.527 2.151 . . . . 0.0 112.163 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 32.7 p90 -106.14 124.12 49.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.997 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 14.5 m -149.32 123.23 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -145.17 172.36 13.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.2 mtm -112.23 129.83 56.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.03 141.57 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.73 -162.93 27.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.558 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -133.08 176.38 8.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.511 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.4 -161.44 13.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -156.29 159.66 39.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.34 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.06 137.23 54.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -68.9 132.87 47.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 mp -79.55 164.73 23.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.937 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.721 0.296 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.05 131.1 23.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -162.27 153.21 17.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.87 132.98 52.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.49 15.4 32.3 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.739 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.17 147.02 53.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.871 0.367 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -120.11 115.47 23.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.766 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.3 mt -127.36 140.78 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -95.24 152.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.89 135.19 14.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.01 144.69 15.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.74 148.57 18.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -152.84 118.25 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.726 0.298 . . . . 0.0 110.778 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.12 151.63 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.23 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -140.36 34.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -168.8 83.5 0.69 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.47 -41.74 65.66 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.562 2.174 . . . . 0.0 112.201 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.87 32.37 20.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.94 -32.06 20.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.56 65.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.06 94.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -104.25 -34.04 8.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -164.18 140.37 6.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.483 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.1 tt -127.35 -44.77 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 25' ' ' ILE . 6.1 mttp -148.77 162.58 39.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.783 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 27' ' ' LEU . 3.8 tt -105.79 -31.0 9.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 60.46 -178.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -137.78 -83.19 0.11 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.558 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.03 -63.94 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.905 0.383 . . . . 0.0 111.146 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -74.51 146.75 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.06 80.39 1.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.27 147.58 41.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.98 157.27 20.12 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -79.44 95.62 5.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.35 145.67 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.27 -49.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.82 117.91 35.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.87 -66.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.21 130.51 54.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.2 m -91.95 -38.21 12.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.51 102.36 6.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.1 m -117.0 129.74 56.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -133.19 125.3 29.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -77.62 103.89 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -80.2 111.3 3.25 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.599 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 mt -103.41 127.49 50.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.705 0.288 . . . . 0.0 110.749 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.919 HG22 ' HA ' ' A' ' 62' ' ' VAL . 52.6 p -141.2 150.7 43.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 51' ' ' TYR . 5.7 m-85 -126.6 123.13 36.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.728 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.66 110.09 22.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.159 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 49' ' ' PHE . 12.0 m-85 -101.76 100.94 11.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 132.26 49.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.222 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -131.53 97.2 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.239 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.19 -173.77 0.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.268 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -94.71 33.02 1.51 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.635 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -150.25 -35.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.954 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -103.35 142.58 33.97 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.569 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' O ' HD23 ' A' ' 96' ' ' LEU . . . -150.92 125.34 1.88 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.153 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.0 t -100.73 144.63 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.289 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -147.13 121.81 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 61' ' ' LEU . 8.2 mp -103.28 148.17 26.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.919 ' HA ' HG22 ' A' ' 48' ' ' THR . 5.3 m -124.57 147.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.24 131.14 3.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.032 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -112.64 163.48 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.016 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 45' ' ' LEU . 29.2 p -87.61 149.18 45.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.04 168.79 0.46 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.557 2.171 . . . . 0.0 112.309 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -123.51 -63.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -175.54 161.85 2.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -144.63 122.78 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -139.75 41.54 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.9 t 68.95 -67.83 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -103.88 78.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 74' ' ' LYS . 14.5 m -135.71 -46.93 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -139.02 86.94 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.58 82.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.552 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.3 tp -84.89 140.94 30.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 65.34 60.74 6.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.31 110.31 2.63 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.563 2.175 . . . . 0.0 112.329 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -75.71 -115.52 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.54 173.24 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.796 0.331 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -162.46 123.8 2.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 156.42 -93.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -63.81 167.37 6.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.25 32.49 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.21 85.05 2.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -96.48 42.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mt 68.58 -67.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.81 116.9 7.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -139.2 91.62 2.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -82.85 139.26 43.19 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.516 ' HD2' HD23 ' A' ' 90' ' ' LEU . 72.7 Cg_endo -74.91 128.53 11.63 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.512 2.142 . . . . 0.0 112.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.22 151.45 34.21 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.453 2.102 . . . . 0.0 112.339 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.632 ' HB ' HG23 ' A' ' 62' ' ' VAL . 85.6 m -114.41 122.42 46.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.7 tp -97.69 140.54 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.4 tt -139.34 153.51 47.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -131.51 142.41 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -117.56 149.08 41.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -112.99 150.13 32.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CD2' ' HA3' ' A' ' 102' ' ' GLY . 0.3 OUTLIER -116.62 78.75 9.01 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.818 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 -45.64 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.525 2.15 . . . . 0.0 112.42 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.62 30.59 5.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 99' ' ' TYR . . . -96.17 129.68 9.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.39 64.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.58 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.85 179.07 9.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -96.37 18.36 14.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.1 p -80.88 139.53 35.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.794 0.33 . . . . 0.0 110.952 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.81 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 152' ' ' PHE . 0.4 OUTLIER -84.93 113.65 21.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.816 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -133.6 97.74 15.57 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.968 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' CD2' ' A' ' 152' ' ' PHE . 58.2 Cg_endo -71.63 -179.59 3.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.489 2.126 . . . . 0.0 112.195 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -175.82 169.84 2.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.75 163.63 30.99 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.14 93.9 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 114' ' ' LEU . 3.9 mp -111.44 135.24 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -103.38 137.95 13.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.426 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -142.14 143.42 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -157.5 109.16 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -170.67 147.41 2.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.8 m -74.51 148.15 41.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.02 32.84 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.937 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -160.61 172.62 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.4 176.23 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -96.86 114.29 25.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -28.53 16.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.62 -58.11 9.75 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -29.92 70.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.25 -47.13 77.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 14.7 m -106.96 38.44 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -175.45 161.0 2.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 16.5 ttm-85 60.69 96.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 78.1 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -165.13 133.25 3.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -132.51 149.82 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -156.55 -50.42 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.437 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -109.8 126.67 54.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -108.7 113.95 27.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.08 138.12 49.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.3 ttp -131.87 116.45 17.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -82.21 138.19 34.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 38.07 2.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -140.01 33.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -153.62 32.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 p -127.84 35.73 4.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 34.3 m95 -68.56 167.87 14.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.926 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 156.17 -53.31 0.42 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 108.82 21.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -170.13 86.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -90.51 146.16 18.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -146.02 157.21 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.97 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.55 132.28 54.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -115.74 141.49 16.95 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.652 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 110' ' ' PRO . 85.6 m-85 -130.35 104.3 7.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 110.761 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.75 137.0 32.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -127.93 121.31 29.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.648 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.471 ' HG2' HD11 ' A' ' 161' ' ' LEU . 19.0 mtt -79.5 110.34 14.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.093 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.6 mt -101.88 -19.32 15.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.8 m120 64.67 -79.38 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -60.19 -27.74 67.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -117.94 33.85 5.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.192 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.442 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.88 -147.03 0.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.55 141.78 47.74 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.813 0.34 . . . . 0.0 110.734 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.68 117.88 31.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -102.19 105.64 16.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 19.5 ttt -110.41 129.93 55.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.627 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -128.72 126.9 41.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.201 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -129.95 145.78 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.041 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -85.03 -61.82 1.68 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 60.37 86.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -110.41 -69.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.041 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -100.86 117.27 34.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.04 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.1 tp -179.5 -38.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.044 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -102.47 139.7 37.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.722 HG21 ' HD2' ' A' ' 189' ' ' LYS . 0.7 OUTLIER -141.67 133.64 27.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.76 -31.74 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.8 105.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 2.4 t -104.94 -52.56 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.9 pt -122.87 79.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -68.7 138.86 55.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 160.66 -84.66 0.12 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.35 -35.6 65.43 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.599 2.199 . . . . 0.0 112.318 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 80.3 p -113.92 32.52 5.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -77.31 -51.11 11.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.59 -38.02 11.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 89.14 134.96 5.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.701 HG23 HD22 ' A' ' 186' ' ' ASN . 0.5 OUTLIER -137.93 -43.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.734 0.302 . . . . 0.0 111.214 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.701 HD22 HG23 ' A' ' 185' ' ' VAL . 4.4 p30 -129.59 31.29 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -176.66 134.32 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.11 148.75 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . 0.722 ' HD2' HG21 ' A' ' 173' ' ' THR . 3.5 mmtp -84.11 -42.64 15.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -162.11 132.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -113.14 -67.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.59 -52.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -164.41 70.27 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 195' ' ' ASP . 27.7 m -64.07 -45.03 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.223 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.479 ' N ' HG23 ' A' ' 194' ' ' VAL . 0.2 OUTLIER -100.34 140.57 21.55 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.43 159.85 39.38 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.571 2.181 . . . . 0.0 112.406 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -73.26 86.83 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.19 134.85 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -146.46 171.29 15.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.627 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 0.5 OUTLIER -109.72 117.18 33.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.56 145.23 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.7 23.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -128.85 166.3 19.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.819 0.343 . . . . 0.0 110.978 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.442 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -143.79 155.18 26.04 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -159.56 123.91 3.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.356 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.766 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -87.85 139.82 30.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.44 156.18 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.8 tp -93.08 142.72 26.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -138.58 104.67 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -149.13 147.21 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.72 138.96 58.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.38 15.48 47.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.716 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.18 139.13 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' C ' HD12 ' A' ' 8' ' ' ILE . 17.0 t80 -101.96 135.27 43.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -144.41 126.82 10.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.38 145.06 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.017 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -140.54 137.22 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.75 178.78 44.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.73 146.4 15.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -150.88 148.32 28.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 42' ' ' ASP . . . -120.4 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.57 121.43 24.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 16' ' ' VAL . 14.7 m -115.12 78.7 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -169.74 90.48 0.55 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.47 -53.99 0.91 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.495 2.13 . . . . 0.0 112.245 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 t0 55.57 80.88 0.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.083 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -104.07 -59.92 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.6 p -172.79 87.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.9 167.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -98.68 30.49 3.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 64.36 15.61 9.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.29 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.0 tp 178.03 130.08 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.04 149.94 27.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 mt 61.99 79.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.12 -56.46 3.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 128.55 42.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.02 106.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -107.53 116.72 32.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 60.19 108.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -112.98 155.6 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -96.31 158.14 21.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.444 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 m -130.1 157.16 43.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.961 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 31.67 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.27 92.54 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.032 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.0 97.79 8.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.2 p -141.3 73.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.77 101.73 3.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.8 p -87.52 -23.0 24.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.062 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 14' ' ' ALA . 20.3 m-20 -54.68 -43.88 72.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.07 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.59 110.43 19.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -163.88 134.1 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.17 102.1 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -68.97 124.01 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.616 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.85 134.72 39.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.784 0.326 . . . . 0.0 110.752 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -148.69 145.54 27.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.081 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -119.57 112.36 19.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.415 HG23 ' OE1' ' A' ' 60' ' ' GLU . 3.6 m -96.12 138.49 33.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.096 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -115.13 100.94 8.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.615 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.522 ' HB2' HD11 ' A' ' 8' ' ' ILE . 2.8 ttm -62.06 118.9 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -138.04 97.23 3.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.991 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.6 -176.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.105 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.5 31.52 1.52 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.723 0.296 . . . . 0.0 110.425 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -150.53 -35.91 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.827 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 21.9 m95 -97.63 150.71 20.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.036 0.446 . . . . 0.0 111.445 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.44 125.25 1.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.255 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.77 125.37 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.166 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' OE1' HG23 ' A' ' 50' ' ' THR . 1.1 tt0 -124.73 134.16 52.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 48' ' ' THR . 5.7 mt -115.64 149.87 37.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.4 t -107.76 143.66 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.9 131.54 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.96 163.69 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.8 p -142.13 94.93 6.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.23 61.35 3.31 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.558 2.172 . . . . 0.0 112.35 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 57.56 168.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -104.74 142.53 34.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -87.49 68.74 9.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.77 125.87 27.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 35.0 m -103.73 149.91 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.61 159.1 34.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.817 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -142.12 31.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.74 99.82 0.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.7 -29.1 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -133.94 105.03 6.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.845 0.355 . . . . 0.0 110.831 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.74 -149.12 7.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.75 120.72 7.62 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.576 2.184 . . . . 0.0 112.289 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -177.01 74.07 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 tp -98.07 -66.09 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.91 171.42 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.29 28.54 3.77 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -88.94 -64.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.742 0.306 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.41 32.65 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.5 83.21 1.81 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.17 174.21 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 pt -107.28 130.66 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.06 148.05 46.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.41 115.22 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 mp -117.18 93.52 42.67 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -57.64 128.54 29.64 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.494 2.129 . . . . 0.0 112.196 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.473 ' O ' HG23 ' A' ' 93' ' ' THR . 71.9 Cg_endo -76.84 120.14 5.38 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.469 2.113 . . . . 0.0 112.308 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 92' ' ' PRO . 1.2 p -158.95 126.06 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.81 128.0 53.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD12 ' HA2' ' A' ' 115' ' ' GLY . 14.0 tp -124.38 122.45 37.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.659 HD13 HG21 ' A' ' 116' ' ' VAL . 0.6 OUTLIER -85.7 117.54 24.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -106.03 139.26 40.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 16.5 p90 -149.76 150.07 31.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -89.96 107.4 18.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.62 -44.62 0.67 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.422 2.082 . . . . 0.0 112.286 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.5 ttt -126.06 31.51 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -84.62 134.16 12.43 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 135.48 44.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.6 t -137.09 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -96.43 18.18 14.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.47 176.28 9.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.6 -39.02 10.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 51.2 p90 -87.12 123.4 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.84 110.61 33.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -51.85 170.95 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.467 2.111 . . . . 0.0 112.234 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.37 110.94 6.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.6 101.49 2.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.422 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -102.42 151.59 18.26 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -157.98 137.87 12.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.463 ' HA2' HD12 ' A' ' 95' ' ' LEU . . . -91.49 125.8 8.18 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.659 HG21 HD13 ' A' ' 96' ' ' LEU . 31.4 m -123.31 148.19 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.182 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.87 144.98 48.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -112.28 168.91 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.9 163.72 13.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.6 t -170.1 140.82 2.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.11 92.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 61.6 152.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -173.79 -174.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -85.92 -37.32 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -33.15 73.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 20.9 mt -72.69 -38.17 67.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.7 97.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.8 p -167.81 147.59 4.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -117.55 29.51 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 58.31 85.47 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -78.1 -177.34 5.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -132.81 149.9 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -100.42 118.43 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -158.38 -143.76 3.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -124.06 32.86 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.23 177.99 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 82.6 p -162.59 124.57 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -94.05 47.16 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -59.61 98.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.28 87.22 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -158.33 112.41 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.84 56.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.793 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.69 24.79 14.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -155.01 163.18 40.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.857 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.58 -52.03 0.26 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.498 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.2 tp 59.94 30.54 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.71 115.14 26.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -116.68 156.66 15.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -135.99 144.98 45.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.13 130.16 55.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -143.52 -179.12 19.89 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.51 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -138.59 138.59 38.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.03 126.47 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -109.46 120.65 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -96.7 114.05 25.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.607 HD13 ' HB3' ' A' ' 159' ' ' HIS . 5.4 mt -109.25 -23.6 11.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.03 -73.29 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -61.7 -30.64 70.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.607 ' HB3' HD13 ' A' ' 156' ' ' LEU . 23.7 t-80 -116.9 33.76 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.41 -165.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 161' ' ' LEU . 3.1 mp -118.24 148.32 42.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 203' ' ' PHE . 1.2 m-85 -110.47 144.98 38.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.761 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.7 138.56 47.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.557 ' CE ' HD12 ' A' ' 201' ' ' ILE . 10.4 mtt -132.21 164.55 26.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.788 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.542 ' HB3' ' CB ' ' A' ' 200' ' ' MET . . . -157.88 138.49 12.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.126 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.66 146.06 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -74.42 -52.83 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -139.22 -169.14 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.28 -70.2 0.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.072 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . 0.405 ' O ' ' HB ' ' A' ' 171' ' ' ILE . 5.6 t0 70.12 -63.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 170' ' ' ASP . 8.7 mt 77.41 80.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.21 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.92 -167.71 1.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.746 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 t -177.31 116.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -97.04 23.5 7.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 56.52 52.1 10.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 111.213 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.2 p -143.26 135.62 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 178' ' ' ASN . 3.3 mp -101.63 159.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.476 ' N ' HG22 ' A' ' 177' ' ' ILE . 1.5 m-20 -59.88 139.0 57.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.844 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -116.01 108.34 1.82 Allowed Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.384 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 121.28 8.32 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.415 2.076 . . . . 0.0 112.262 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 11.1 t -77.26 -47.07 21.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -102.12 102.8 13.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.98 83.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 162.94 -37.52 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.492 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.0 p -133.79 133.84 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -160.42 -177.56 6.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.63 151.77 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.2 p -127.61 146.3 50.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.63 110.29 11.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 190' ' ' VAL . 12.8 p -93.13 115.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.0 74.42 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 192' ' ' VAL . 17.5 t -143.99 52.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.543 ' O ' HG13 ' A' ' 194' ' ' VAL . 1.8 p30 -98.63 30.78 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 193' ' ' ASP . 5.5 m -159.23 82.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.22 161.77 77.65 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.84 -169.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.624 2.216 . . . . 0.0 112.269 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -140.59 -47.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.428 HG22 HG12 ' A' ' 16' ' ' VAL . 21.3 t -114.99 138.77 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -109.28 147.57 32.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.542 ' CB ' ' HB3' ' A' ' 165' ' ' ALA . 88.6 mmm -111.44 116.15 30.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.557 HD12 ' CE ' ' A' ' 164' ' ' MET . 1.3 tt -140.73 140.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.64 -167.54 13.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 162' ' ' PHE . 2.6 m-85 -122.02 -179.68 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -143.58 155.73 26.25 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.551 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -159.68 127.0 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 110.826 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.1 mtmm -86.7 134.15 33.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -127.94 136.85 51.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.78 163.48 16.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.939 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 60.31 104.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -145.08 157.51 44.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.07 132.96 41.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.68 15.44 29.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.707 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -71.2 153.37 42.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -111.82 147.58 35.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 52' ' ' MET . 17.0 mt -139.3 141.07 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.027 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.5 mt -130.41 126.52 61.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -131.2 150.49 52.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.23 137.55 5.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.21 -132.11 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.552 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.44 161.73 42.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.15 123.28 29.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.72 128.94 43.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.6 m -123.95 179.54 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 62.06 148.82 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.951 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.89 -26.07 22.66 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.511 2.141 . . . . 0.0 112.349 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -92.87 -178.51 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -97.31 -35.69 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.66 35.18 17.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -114.31 -179.21 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.7 t -124.52 -177.74 3.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.632 ' O ' HD13 ' A' ' 25' ' ' ILE . 3.2 m-20 60.15 72.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.874 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 24' ' ' ASP . 23.3 mm -135.68 -47.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.43 -173.81 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tp -162.35 37.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -86.02 -43.24 13.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.05 -155.06 8.07 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.582 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.76 -62.9 1.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.765 0.317 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -129.95 136.29 49.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.15 139.12 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.948 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -145.16 166.68 24.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.08 -161.58 8.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -62.8 -31.57 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.71 99.34 3.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.83 -50.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.2 m -105.03 92.23 4.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.87 -62.2 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -113.42 76.49 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -82.15 -37.13 26.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -81.36 159.75 24.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.64 163.43 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -130.71 141.37 50.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 65' ' ' THR . 1.9 mt -76.05 131.51 39.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -89.97 121.12 6.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.495 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.91 127.94 33.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.799 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.869 HG22 ' HA ' ' A' ' 62' ' ' VAL . 11.8 p -142.74 132.36 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.133 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.43 121.85 43.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.703 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.39 134.44 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.116 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 51' ' ' TYR . 3.1 m-85 -113.85 126.56 55.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.659 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.478 ' HB2' HD11 ' A' ' 8' ' ' ILE . 3.5 ttm -96.44 125.84 41.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.156 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -135.9 97.31 3.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.333 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.03 -175.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.457 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.57 34.3 1.33 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.474 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.2 -35.38 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.647 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 5.4 m95 -101.32 142.19 33.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.99 0.424 . . . . 0.0 111.439 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.89 130.18 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.076 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.38 148.92 12.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.326 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -146.93 143.65 28.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -136.06 150.38 49.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.95 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.869 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -114.24 139.4 40.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.74 119.39 5.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.45 162.56 24.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HD12 ' A' ' 45' ' ' LEU . 6.0 t -120.23 114.49 33.38 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.25 -26.96 41.51 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.452 2.101 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -99.08 132.6 44.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -125.02 -45.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -117.24 -42.9 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.83 86.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 m -124.77 -43.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.0 122.36 13.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 73' ' ' VAL . 19.4 t -103.63 38.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.42 -178.23 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 105.41 -34.98 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.453 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt -86.89 141.56 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -114.72 -91.24 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.89 -44.18 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.571 2.18 . . . . 0.0 112.263 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 141.43 -83.03 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.523 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mp -113.08 -65.29 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -68.03 139.79 56.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 136.04 154.1 6.79 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.546 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt 62.21 117.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.346 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 117.71 6.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.51 103.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -70.64 -62.71 1.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.574 HG22 ' O ' ' A' ' 87' ' ' ILE . 20.2 mt 61.05 31.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.52 -31.2 26.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.64 142.78 48.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 mp -119.52 102.32 47.88 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.786 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.35 153.86 6.7 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.412 2.075 . . . . 0.0 112.373 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.9 124.86 11.43 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.562 2.175 . . . . 0.0 112.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.9 p -83.23 115.68 22.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD11 HD11 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -105.36 142.17 35.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.62 153.08 48.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.88 142.45 36.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -109.92 131.29 55.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -132.64 139.85 47.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 111' ' ' TYR . 49.0 m-85 -106.62 87.44 2.77 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.52 -36.62 8.51 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.532 2.154 . . . . 0.0 112.414 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 51.0 mtt -123.99 32.48 5.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.75 136.58 15.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.563 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.25 33.93 1.41 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.514 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 p -115.18 175.61 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.29 18.32 12.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -71.01 152.86 43.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.811 0.339 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.61 -35.09 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -82.39 152.12 26.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.2 74.48 2.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.09 138.32 30.63 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.597 2.198 . . . . 0.0 112.407 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 53.8 p90 -148.61 146.58 28.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.81 157.34 30.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -146.88 127.8 2.8 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.553 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 115' ' ' GLY . 0.5 OUTLIER -116.94 143.92 45.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 110.818 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.419 ' H ' HD23 ' A' ' 114' ' ' LEU . . . -114.72 153.65 17.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.5 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 94' ' ' LEU . 15.8 m -110.87 144.46 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -129.96 128.83 42.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -125.84 114.38 18.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.6 p -75.87 -69.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 14.7 m -144.94 157.5 44.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.96 175.23 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -104.32 156.2 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -78.59 -35.22 46.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -68.17 -41.38 81.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -31.44 66.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 tt -73.97 -41.75 61.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.5 -32.14 24.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.2 t 60.18 -177.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -107.63 165.98 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -91.85 148.32 22.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.51 96.93 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -162.12 -62.8 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -171.37 154.85 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 129.0 102.28 1.05 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.426 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -151.29 128.87 11.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.98 -69.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 p -93.41 168.26 11.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.37 78.16 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -101.46 132.25 47.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tp -129.53 -65.81 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -89.84 104.14 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -104.56 -33.4 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.28 139.91 37.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -133.86 119.57 19.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -124.81 124.39 5.37 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.403 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.67 99.89 9.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.835 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -134.2 91.44 2.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -88.22 145.76 19.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.29 152.98 43.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.9 mp -111.93 132.27 54.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -125.35 142.38 13.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -131.14 117.96 19.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -101.11 151.87 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -141.01 127.31 19.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.791 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.4 ttt -98.39 119.5 37.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.026 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 160' ' ' ALA . 3.5 mp -103.72 -1.23 28.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.391 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.99 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 111.267 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -75.28 -35.29 61.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.285 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -97.49 33.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.41 ' O ' HD12 ' A' ' 156' ' ' LEU . . . 56.72 -163.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.18 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.649 ' N ' HD12 ' A' ' 161' ' ' LEU . 1.7 mp -116.79 128.7 55.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.908 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -95.8 149.06 21.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.496 ' O ' HD12 ' A' ' 201' ' ' ILE . 2.7 p-10 -132.69 150.16 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 5.6 ttp -131.46 147.39 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -135.93 123.14 21.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.9 143.24 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.451 ' HZ3' HG12 ' A' ' 198' ' ' VAL . 29.0 m-90 -79.0 159.99 27.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -61.5 174.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.57 170.88 9.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.49 -55.24 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.9 mt 59.63 102.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.05 79.51 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 26.7 m -85.55 83.89 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.42 -44.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -76.43 169.44 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.21 92.13 1.67 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.6 pt -107.33 93.12 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -68.25 115.88 8.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . 0.405 ' N ' ' HD3' ' A' ' 180' ' ' PRO . . . 179.7 61.3 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 179' ' ' GLY . 52.3 Cg_exo -55.18 -56.85 2.0 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.603 2.202 . . . . 0.0 112.209 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 6.9 t -167.09 33.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -83.55 150.25 26.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.61 161.57 32.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 138.58 -54.68 0.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.537 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.583 ' O ' HG12 ' A' ' 185' ' ' VAL . 16.1 t -99.41 31.54 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -173.63 122.97 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.15 -38.04 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 9.7 t -98.71 153.1 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -129.8 104.75 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 28.9 t -82.06 91.97 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -147.11 -46.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.3 t 65.12 84.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -161.41 72.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.62 137.6 24.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.26 112.11 19.16 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.08 -168.27 0.61 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.537 2.158 . . . . 0.0 112.301 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -164.87 76.89 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.451 HG12 ' HZ3' ' A' ' 167' ' ' TRP . 21.4 t -132.67 113.65 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -141.99 127.35 18.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.638 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 9.6 mtt -106.77 126.69 52.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 163' ' ' ASN . 5.3 tp -146.03 139.99 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.05 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -162.1 166.38 36.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.555 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.53 158.24 36.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -170.2 -173.76 37.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.531 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.33 138.87 46.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.787 0.327 . . . . 0.0 110.948 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -94.16 104.57 16.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -81.38 137.6 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.444 ' O ' HD12 ' A' ' 208' ' ' LEU . 2.8 pp -138.3 121.99 17.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.752 0.311 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -136.03 153.55 51.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -157.36 154.32 28.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.36 119.68 21.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.83 15.44 7.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.724 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.26 138.95 40.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.762 0.315 . . . . 0.0 110.821 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -108.68 133.4 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.464 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.6 mp -139.84 149.24 22.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.0 mt -121.86 152.13 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.084 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.93 150.16 2.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.039 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.53 159.31 27.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.374 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.15 -166.77 23.59 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.727 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.1 p90 -154.38 162.11 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 0.0 110.813 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.39 123.34 22.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.433 ' O ' HG13 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -69.04 135.38 50.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 15' ' ' THR . 20.3 m -157.21 31.02 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 61.23 72.42 0.69 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.56 -40.92 3.63 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.548 2.165 . . . . 0.0 112.335 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 94.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 -63.97 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 22' ' ' SER . 4.4 p 69.95 -61.78 0.44 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.41 ' N ' ' OG ' ' A' ' 21' ' ' SER . 0.3 OUTLIER 63.33 84.64 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.847 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.65 110.73 5.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.45 -64.05 1.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.7 tt -100.65 -16.59 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.55 158.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.812 0.339 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 45.4 mt -109.69 -177.71 3.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -167.07 34.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.97 -106.43 2.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.564 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -164.43 142.83 7.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 mmtt -141.59 160.29 40.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -162.24 -70.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -72.08 128.07 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.42 179.42 36.84 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.5 p -130.23 168.59 16.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.39 122.31 24.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.37 30.95 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.8 t -90.7 140.47 29.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.4 m -140.56 32.32 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -63.26 84.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -101.68 -4.09 27.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.415 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.84 31.08 2.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.775 0.321 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 151.85 27.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -140.87 121.9 14.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.063 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 101.12 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.719 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.43 125.85 8.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.59 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.97 158.78 16.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.76 0.314 . . . . 0.0 110.625 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 61' ' ' LEU . 69.1 m -149.87 135.51 18.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.134 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.73 104.69 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.533 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.593 HG23 ' HG2' ' A' ' 60' ' ' GLU . 88.6 m -95.13 126.24 40.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.42 100.92 8.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.542 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.31 133.9 49.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.087 -179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.21 97.2 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.43 179.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.298 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -90.68 36.17 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.666 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -150.28 -35.01 0.16 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.717 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.518 ' HH2' HD23 ' A' ' 96' ' ' LEU . 49.7 t-105 -108.65 150.07 28.05 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.978 0.418 . . . . 0.0 111.374 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.11 122.7 0.96 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.265 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.19 151.1 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 111.355 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HG2' HG23 ' A' ' 50' ' ' THR . 45.4 mt-10 -141.29 139.87 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.789 ' O ' HG23 ' A' ' 48' ' ' THR . 9.5 tp -102.67 150.41 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.08 143.28 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -159.84 160.1 33.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -146.26 144.87 30.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 109.4 2.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.57 -42.38 49.69 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.397 2.065 . . . . 0.0 112.337 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.88 29.29 18.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -122.01 30.87 6.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -64.64 131.54 47.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.8 109.66 6.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 71' ' ' VAL . 27.6 m -121.38 104.24 14.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -131.32 142.57 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 73' ' ' VAL . 12.3 p -130.25 49.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -140.79 24.94 2.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.956 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -117.13 -27.87 2.57 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.592 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp 63.24 86.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.843 0.354 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.95 -97.94 0.16 Allowed Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.17 140.05 27.45 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.495 2.13 . . . . 0.0 112.413 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.05 -109.17 3.51 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.06 151.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -71.63 -37.95 70.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.61 -137.54 19.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 -66.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.922 0.391 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.52 101.75 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.21 122.91 26.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.64 131.56 33.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.6 tt -110.98 135.76 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.996 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -122.0 153.9 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -145.34 133.51 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.77 145.67 94.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.44 156.26 50.22 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.551 2.168 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.68 155.06 63.62 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.534 2.156 . . . . 0.0 112.264 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.2 p -115.21 142.68 46.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' A' ' 61' ' ' LEU . 3.0 mp -122.8 137.13 55.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -128.87 137.7 51.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.518 HD23 ' HH2' ' A' ' 57' ' ' TRP . 8.5 mp -102.35 149.83 23.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.77 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.81 130.57 52.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -136.35 122.69 20.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.4 p90 -134.32 97.45 14.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 -27.89 23.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.434 2.089 . . . . 0.0 112.355 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 mtp -122.83 33.28 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.72 123.04 7.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.97 46.86 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.438 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 t -121.02 174.73 6.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 28.4 p30 -95.56 18.34 12.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.67 158.9 23.29 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.001 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.13 -67.44 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.5 133.15 34.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -112.23 84.66 6.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.28 151.04 81.43 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.601 2.201 . . . . 0.0 112.227 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -140.58 146.41 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.0 105.79 2.91 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.369 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -88.32 140.95 16.48 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.548 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.6 tp -139.44 150.41 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.27 143.14 16.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 117' ' ' ASN . 9.2 p -137.05 158.26 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.835 0.35 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 116' ' ' VAL . 0.4 OUTLIER -93.81 155.99 16.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -105.71 149.62 26.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.5 108.02 3.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.3 p -123.94 145.16 49.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -110.26 -177.61 3.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -163.21 -66.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.634 ' HA ' HD21 ' A' ' 126' ' ' LEU . 2.3 t0 -177.31 -39.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.42 -27.32 60.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.038 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.71 -47.01 80.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.027 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.634 HD21 ' HA ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -78.24 -28.74 47.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.74 -30.78 65.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.95 177.54 6.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -89.0 137.35 32.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -66.58 -41.66 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 157.65 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.796 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -151.18 176.72 10.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -152.57 144.25 23.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.58 150.69 8.13 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.413 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -114.87 97.23 6.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.865 0.364 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.15 122.09 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.9 p -81.13 118.78 22.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.788 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 33.2 mtm -142.7 112.07 6.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.96 31.16 5.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 tp -144.95 -58.5 0.35 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.13 93.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.17 -61.55 1.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.3 m -141.73 -47.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -90.71 153.35 20.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.94 -34.32 5.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.09 92.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -138.9 102.28 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -63.73 137.19 41.67 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.56 146.09 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.757 HD13 ' HA ' ' A' ' 168' ' ' TYR . 10.6 mp -109.17 134.13 52.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -130.98 126.18 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -112.18 116.49 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 124.01 46.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -110.33 135.45 51.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 1.2 ttt -102.63 110.23 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -108.31 -25.62 10.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.22 -71.76 0.11 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -30.98 70.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.731 ' HB2' HD22 ' A' ' 156' ' ' LEU . 7.6 m-70 -113.52 31.06 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.568 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . 60.51 -165.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.79 132.77 56.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -101.52 138.24 38.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.06 125.59 46.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -95.9 157.06 16.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.614 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -144.85 113.67 6.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.593 HG23 ' HB2' ' A' ' 150' ' ' LEU . 4.3 m -131.89 168.97 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -69.75 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.757 ' HA ' HD13 ' A' ' 150' ' ' LEU . 1.5 t80 -166.1 -62.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.806 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.43 159.94 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.81 -172.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 14.3 pt -97.83 -30.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.63 93.2 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 9.2 t -87.82 142.18 28.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.08 -47.69 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -71.47 84.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 45.9 p -79.09 -57.97 3.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 32.3 mt -82.76 107.47 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -87.17 146.04 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -177.79 68.58 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.07 177.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.558 2.172 . . . . 0.0 112.367 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 13.5 m -150.71 -56.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -135.56 71.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 mp -141.89 156.11 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -67.3 129.28 28.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 17.2 m -101.46 145.49 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 111.22 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -176.53 96.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . 0.516 ' O ' HG23 ' A' ' 188' ' ' THR . 0.3 OUTLIER -94.24 159.23 15.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.833 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 187' ' ' LYS . 0.7 OUTLIER -163.15 130.79 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -71.96 68.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 23.8 m -148.86 171.34 2.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.451 ' O ' HG12 ' A' ' 192' ' ' VAL . 2.5 t0 -106.08 -68.36 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 192' ' ' VAL . 12.9 p 43.44 30.93 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.663 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -178.1 82.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.1 p -144.74 138.77 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -117.41 146.64 38.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.08 164.02 1.92 Allowed 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.516 2.144 . . . . 0.0 112.299 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.9 t-105 -128.53 31.19 5.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.803 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 13.4 m -141.36 155.11 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -137.12 160.38 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.614 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 7.2 ttp -100.98 121.0 41.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.423 HG21 HG23 ' A' ' 15' ' ' THR . 15.5 tt -132.99 135.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -164.41 -172.63 32.12 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -142.18 163.43 32.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.795 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.568 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -170.0 -172.76 36.82 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.5 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -143.29 148.16 35.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.899 0.381 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.464 ' HA ' HG23 ' A' ' 8' ' ' ILE . 37.1 pttt -107.77 139.31 42.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.28 141.41 54.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 208' ' ' LEU . 3.1 mm? -98.04 124.62 42.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.856 -179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.89 0.376 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -110.38 97.65 7.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -163.42 -177.8 5.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.59 132.86 48.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.46 15.46 15.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.638 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -79.88 148.53 31.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -123.74 137.2 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.453 HD13 ' HG2' ' A' ' 206' ' ' LYS . 41.5 mt -136.28 149.36 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.063 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.67 149.93 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.408 ' NH1' HG21 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -159.91 147.81 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -164.07 149.77 17.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.67 -149.41 6.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.625 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -136.38 161.29 36.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' THR . . . -123.2 145.41 48.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 14' ' ' ALA . 6.7 p -156.27 155.3 32.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.0 m -103.5 -30.27 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.202 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -146.47 142.97 18.02 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -51.94 -27.62 28.82 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.526 2.151 . . . . 0.0 112.265 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -129.42 118.11 21.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.77 -59.13 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.19 149.54 2.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -108.01 98.46 8.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -101.92 146.85 27.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.825 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 t0 61.37 113.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.0 mm -116.51 131.61 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.42 166.47 32.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.96 -56.22 2.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -104.91 97.65 7.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.17 179.69 39.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.1 155.23 46.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.74 79.45 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.67 118.53 8.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.839 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.4 mmt-85 68.79 -67.74 0.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.018 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.78 -175.25 46.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.45 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.577 HG21 ' HB2' ' A' ' 42' ' ' ASP . 6.2 p 56.64 -175.74 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.774 0.321 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -145.29 96.41 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.83 -75.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -157.11 -67.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 38' ' ' THR . 11.2 m -157.83 30.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -112.2 158.15 20.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -91.34 11.21 24.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.362 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.577 ' HB2' HG21 ' A' ' 35' ' ' THR . 15.5 t70 61.61 29.21 18.13 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.8 0.334 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -139.61 150.78 45.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -114.8 132.07 56.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 tp -58.39 145.54 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -110.71 107.24 2.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.719 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -115.02 150.61 35.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.663 0.268 . . . . 0.0 110.554 179.759 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.52 ' OG1' HG12 ' A' ' 62' ' ' VAL . 25.8 m -154.84 148.24 25.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CZ ' HD21 ' A' ' 47' ' ' LEU . 64.3 m-85 -131.58 108.68 9.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.454 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.808 HG23 ' HG3' ' A' ' 60' ' ' GLU . 2.8 m -94.7 116.14 28.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.289 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD13 ' A' ' 61' ' ' LEU . 8.9 m-85 -103.92 106.51 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.513 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.1 ttt -68.55 127.66 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.075 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.421 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 5.0 m-85 -133.45 97.27 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.351 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 53' ' ' PHE . . . 67.42 -172.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -94.95 31.12 1.93 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.524 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.31 -37.41 0.14 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.548 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.421 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -90.38 153.75 20.19 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.039 0.447 . . . . 0.0 111.318 -179.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.32 104.6 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.16 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 96' ' ' LEU . 6.0 m -100.6 151.03 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.831 0.348 . . . . 0.0 111.348 -179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HG3' HG23 ' A' ' 50' ' ' THR . 5.6 mt-10 -136.15 111.59 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 51' ' ' TYR . 5.2 mp -96.25 117.63 31.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.712 HG23 HG23 ' A' ' 93' ' ' THR . 35.8 m -100.94 147.4 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -138.2 120.37 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.75 160.2 33.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 t -96.15 125.79 46.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.57 -167.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.43 2.086 . . . . 0.0 112.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -161.48 135.31 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -137.77 170.09 16.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.2 p-80 -162.63 172.42 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -80.92 153.81 27.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 72' ' ' ASP . 11.8 m -147.17 -47.41 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.453 ' N ' HG23 ' A' ' 71' ' ' VAL . 66.7 m-20 -82.3 171.0 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.95 -45.14 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.181 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -43.04 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -164.98 -54.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.74 -175.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.791 0.329 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 118.02 110.78 2.51 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.419 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -50.26 100.88 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.5 2.133 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 164.59 42.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -166.9 85.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.326 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -106.09 35.33 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 112.46 45.62 0.78 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -69.78 109.18 4.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 -45.48 0.45 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.966 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.63 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.252 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.4 t70 60.33 160.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.3 pt -139.22 146.57 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.72 -174.74 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -82.8 113.02 20.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.56 156.93 50.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.43 166.92 16.03 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.57 2.18 . . . . 0.0 112.241 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.472 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 67.8 Cg_exo -51.06 141.73 36.82 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.605 2.204 . . . . 0.0 112.333 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.712 HG23 HG23 ' A' ' 62' ' ' VAL . 2.5 t -75.67 140.53 42.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -115.97 149.81 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.0 OUTLIER -137.4 126.63 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.979 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.445 ' HA ' HG12 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -96.55 142.14 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.628 179.773 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 41.5 mt-30 -150.51 164.97 34.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 111.456 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -148.98 142.73 25.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.571 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -67.07 109.89 4.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.49 -51.04 1.55 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.402 2.068 . . . . 0.0 112.169 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -105.64 33.44 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -56.19 122.13 26.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.555 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 115.99 32.94 1.6 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -116.77 -178.39 3.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.755 0.312 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -99.17 18.31 17.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.437 ' HB3' ' CE2' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -85.67 128.69 34.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.338 . . . . 0.0 110.864 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.0 93.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 106' ' ' SER . 42.3 p90 -71.33 129.36 38.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -100.49 97.57 6.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.56 140.91 44.63 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.429 2.086 . . . . 0.0 112.304 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -120.43 102.1 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -105.54 116.49 5.22 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.465 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.54 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -165.38 -153.55 7.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.848 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.948 HD22 HD22 ' A' ' 146' ' ' LEU . 0.9 OUTLIER -146.26 149.42 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.838 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.868 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -98.67 177.73 30.75 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.8 p -149.03 138.67 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.55 116.24 32.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -76.37 149.23 36.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 p -122.41 179.31 4.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 20.1 p -98.37 119.94 37.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.28 145.48 51.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -103.67 -62.11 1.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.87 123.11 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 11.14 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.305 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -78.66 -42.28 29.07 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.787 0.327 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.86 -37.14 76.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.75 6.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.06 129.52 56.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -131.52 -57.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.02 -41.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.91 32.03 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 62.66 -80.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.274 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.18 -168.94 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.843 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.97 -132.98 11.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.489 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 59.68 30.75 20.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.85 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -105.48 126.23 51.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -111.3 111.08 21.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.5 mtt 59.72 101.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.6 106.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.537 HD12 ' O ' ' A' ' 140' ' ' LEU . 1.2 pp -93.22 94.12 8.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 60.37 94.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -110.88 -69.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 t -114.8 31.12 6.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.78 111.75 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.41 121.43 5.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.402 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.948 HD22 HD22 ' A' ' 114' ' ' LEU . 13.1 mt -107.67 110.62 22.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.72 94.21 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.067 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -59.54 170.43 6.1 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.56 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -168.61 140.59 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.68 126.55 51.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.41 151.66 16.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -124.96 92.55 3.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -85.99 132.37 34.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -130.99 117.74 19.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.3 ptp -92.62 107.41 19.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.33 -20.18 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.117 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 68.57 -68.68 0.17 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.8 -28.43 65.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -120.78 32.81 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.046 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 60.76 -157.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.933 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -116.43 126.0 52.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.824 0.345 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.474 ' HE2' HD11 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -95.57 137.64 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -131.81 126.18 33.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.22 169.91 8.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.628 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -153.63 106.31 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.3 m -148.68 172.75 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 61.77 157.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -162.95 165.07 25.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.01 107.45 19.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -88.86 164.05 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.546 ' O ' HG22 ' A' ' 171' ' ' ILE . 19.7 mt -98.25 35.22 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.23 168.6 19.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.6 m -69.9 157.9 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -122.52 70.55 0.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -143.11 -46.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 19.9 m -106.83 76.96 1.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.9 mp -141.44 116.35 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.92 124.41 21.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -161.29 -156.29 8.23 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.541 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.95 82.72 0.77 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.627 2.218 . . . . 0.0 112.284 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.9 p -107.24 -74.53 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -81.97 -176.73 6.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.56 130.97 42.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 155.21 -61.58 0.36 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.4 t 62.05 90.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.813 0.339 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -146.28 88.07 1.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -74.08 155.39 38.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.1 p -156.09 -46.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -60.53 172.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.73 92.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.72 -72.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 193' ' ' ASP . 11.2 p -177.8 -40.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 192' ' ' VAL . 63.6 m-20 -124.04 58.8 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.8 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 28.7 t -97.23 -66.47 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.61 149.62 46.6 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.77 165.76 1.06 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.59 2.193 . . . . 0.0 112.283 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -177.09 161.25 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 26.4 m -89.62 142.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.04 130.23 35.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.628 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -131.06 124.83 31.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.474 HD11 ' HE2' ' A' ' 162' ' ' PHE . 1.3 tt -136.23 143.31 36.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -166.01 173.28 41.57 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.411 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -137.02 158.6 44.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -162.2 -164.46 17.2 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.56 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -159.6 134.99 8.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.453 ' HG2' HD13 ' A' ' 8' ' ' ILE . 28.4 mttt -86.79 140.86 29.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -69.41 122.05 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.88 160.86 29.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.276 -0.868 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.842 0.354 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -100.28 155.48 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.54 157.49 43.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.81 144.98 51.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.54 15.46 58.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.707 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.3 133.49 35.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.947 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -109.08 128.34 54.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.742 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.555 HG22 ' HA ' ' A' ' 206' ' ' LYS . 48.7 pt -138.72 148.51 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.267 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 20.8 mt -100.28 158.83 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.495 ' HB3' HG23 ' A' ' 48' ' ' THR . 3.2 ttm105 -162.73 148.2 12.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.069 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -129.89 146.1 17.09 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.323 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.39 165.18 12.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.693 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -148.84 107.62 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.812 0.339 . . . . 0.0 110.835 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.27 151.68 29.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.054 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -91.32 151.82 20.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -101.57 108.67 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.88 140.72 21.35 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 114.15 3.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.43 2.087 . . . . 0.0 112.362 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.39 31.16 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -62.8 -27.41 69.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.979 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.1 p -93.84 45.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.75 -46.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m 62.09 105.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -164.87 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 pt -111.69 105.84 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 179.25 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.72 156.49 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -137.56 89.2 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.83 -154.97 9.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.453 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -149.92 -68.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.94 98.92 3.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 137.43 32.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -167.25 -43.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.15 176.46 37.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.9 m 62.4 149.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.801 0.334 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 109.36 17.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.56 22.59 15.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.336 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.64 HG23 ' OG ' ' A' ' 41' ' ' SER . 24.9 m 57.5 106.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.063 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 40' ' ' ASP . 23.4 m -123.56 -43.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -120.8 41.81 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.949 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.64 ' OG ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -66.48 -60.6 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 60.82 33.85 19.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.532 HG22 ' HB3' ' A' ' 41' ' ' SER . 6.4 t -120.84 138.85 53.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -138.7 150.27 45.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.59 133.57 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.93 125.61 8.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.615 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.8 127.45 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.765 0.316 . . . . 0.0 110.637 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 10' ' ' ARG . 11.5 t -146.7 151.93 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.15 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -120.59 119.24 32.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.541 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.706 HG23 ' HB3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.84 132.17 39.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 -179.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.0 100.93 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.575 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.96 125.67 27.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.157 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.403 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -136.19 97.24 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.239 179.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.02 -174.89 0.14 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.334 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -94.32 33.56 1.38 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.48 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -150.37 -36.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.831 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.403 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 10.4 m0 -99.55 137.77 37.57 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-O 121.057 0.456 . . . . 0.0 111.418 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -158.91 107.98 0.34 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.335 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.03 135.53 51.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.706 ' HB3' HG23 ' A' ' 50' ' ' THR . 3.0 pt-20 -141.5 144.44 34.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.911 HD21 ' HB2' ' A' ' 92' ' ' PRO . 2.8 tt -112.07 121.51 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.79 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 29.1 m -100.99 154.6 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.28 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.63 164.41 26.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.975 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.33 163.33 16.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.4 p -114.8 77.91 4.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.77 56.2 5.54 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.588 2.192 . . . . 0.0 112.542 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 52.08 29.68 6.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.213 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -174.61 133.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -87.08 179.56 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -75.75 -64.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 71' ' ' VAL . 27.4 m -113.91 123.31 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.28 -169.23 1.53 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.4 m -104.43 -38.42 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.99 149.45 0.7 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.823 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 171.39 68.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -141.24 -50.37 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.796 0.331 . . . . 0.0 110.916 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 89.7 177.28 45.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.486 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.05 116.47 4.6 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.565 2.176 . . . . 0.0 112.342 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.89 176.72 19.59 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.411 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD23 ' H ' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -113.05 167.61 10.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.929 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.79 -170.19 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.17 175.62 39.46 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -149.66 172.03 15.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.78 72.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.91 114.1 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -70.99 -59.62 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.5 pt -71.74 135.77 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -176.47 -43.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -66.12 99.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD23 ' HD2' ' A' ' 91' ' ' PRO . 0.3 OUTLIER -89.57 137.87 28.56 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.785 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.774 ' HB3' HG21 ' A' ' 119' ' ' THR . 74.2 Cg_endo -75.32 142.72 27.25 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.168 . . . . 0.0 112.368 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.911 ' HB2' HD21 ' A' ' 61' ' ' LEU . 65.2 Cg_endo -73.64 164.91 33.67 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.496 2.131 . . . . 0.0 112.299 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.2 m -87.74 114.08 24.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 mp -99.6 129.02 45.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.7 125.73 51.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.436 HD13 HG21 ' A' ' 116' ' ' VAL . 0.7 OUTLIER -86.44 130.35 34.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -118.0 135.58 54.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.042 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -126.24 150.21 48.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.425 ' CD1' ' CA ' ' A' ' 102' ' ' GLY . 0.1 OUTLIER -99.83 97.25 5.62 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 -46.09 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.478 2.119 . . . . 0.0 112.267 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.79 29.86 7.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' CA ' ' CD1' ' A' ' 99' ' ' TYR . . . -75.21 94.05 0.9 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.678 ' O ' HG23 ' A' ' 104' ' ' THR . . . 168.53 44.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.573 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.678 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.8 OUTLIER -167.75 -179.75 4.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.904 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -110.66 18.28 19.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.38 165.54 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.815 0.341 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -81.32 -34.68 31.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -70.96 112.14 6.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -112.86 82.77 5.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.13 161.84 44.49 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.545 2.163 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -156.96 132.68 9.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -95.82 110.65 4.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.736 ' O ' HD23 ' A' ' 114' ' ' LEU . . . -92.24 138.58 14.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.736 HD23 ' O ' ' A' ' 113' ' ' GLY . 30.4 mt -141.68 136.93 31.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.62 129.78 9.8 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.396 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG21 HD13 ' A' ' 96' ' ' LEU . 24.6 m -148.74 130.63 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.363 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.61 117.85 32.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -128.92 106.97 9.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.774 HG21 ' HB3' ' A' ' 91' ' ' PRO . 0.6 OUTLIER -150.29 -59.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 121' ' ' PHE . 0.2 OUTLIER 60.06 -175.05 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.469 ' H ' HG22 ' A' ' 120' ' ' THR . 0.2 OUTLIER -90.05 -178.57 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.81 31.29 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.55 157.97 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -102.88 -58.49 1.86 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -68.72 -37.05 79.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -28.45 67.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.38 -47.11 82.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m 62.08 116.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -119.59 57.83 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.772 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.38 -21.12 12.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt 61.58 33.46 18.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.818 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -104.52 113.33 26.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.037 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.42 140.1 53.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 164.11 -29.91 0.24 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.457 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.13 165.92 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.93 43.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.62 118.03 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.4 ttt -117.64 145.95 44.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.802 ' HB3' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -112.88 -51.96 2.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.885 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.802 HD23 ' HB3' ' A' ' 139' ' ' LYS . 0.3 OUTLIER -146.89 -179.16 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -100.29 133.84 44.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.775 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -92.96 -68.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.0 106.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 31.7 t-105 -148.89 121.58 8.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.537 ' C ' HD22 ' A' ' 146' ' ' LEU . . . -77.98 -174.2 42.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.476 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.537 HD22 ' C ' ' A' ' 145' ' ' GLY . 4.0 mm? -123.44 -43.92 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.381 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -162.62 -172.47 3.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.057 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -126.84 165.17 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -142.97 154.43 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.1 119.57 39.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.14 134.42 11.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.18 102.6 8.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.787 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -84.81 142.65 29.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -144.46 150.83 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.5 mtt -77.2 128.87 35.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -109.98 -26.94 9.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 69.38 -67.8 0.21 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.772 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -67.07 -45.67 76.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.748 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -101.15 31.16 3.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.75 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 204' ' ' GLY . . . 64.16 -86.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.211 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.74 153.77 47.27 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.89 0.376 . . . . 0.0 111.183 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.804 ' HB2' HD23 ' A' ' 156' ' ' LEU . 5.7 t80 -128.11 143.5 51.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.633 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -143.75 157.13 44.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.864 0.364 . . . . 0.0 111.245 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.27 172.04 13.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.695 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.881 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 138.03 24.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.14 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.6 m -144.66 131.11 15.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -34.59 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -140.28 137.76 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.37 -51.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -160.2 144.74 14.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.33 -48.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -166.42 -173.16 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.8 t -102.73 123.52 46.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.12 -47.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 60.51 84.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.26 130.66 43.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.422 HG23 ' O ' ' A' ' 177' ' ' ILE . 4.8 tt -111.74 125.78 69.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.0 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.47 117.42 17.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -104.52 -142.88 11.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.7 87.2 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.516 2.144 . . . . 0.0 112.325 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 18.7 t -103.7 -67.42 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -174.66 147.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 mp -100.51 127.19 46.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 78.38 -157.02 43.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 23.6 m -84.52 162.31 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.358 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.59 119.11 14.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 173.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 7.7 t -79.04 146.12 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -114.2 130.21 56.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 191' ' ' ASP . 17.5 m -134.62 -46.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 190' ' ' VAL . 0.2 OUTLIER -73.38 -47.52 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.811 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 192' ' ' VAL . 12.5 p -103.99 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -65.09 -33.33 75.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.2 m -151.36 157.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.05 113.81 48.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.751 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 87.87 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.354 2.036 . . . . 0.0 112.278 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.2 t90 -105.06 100.8 10.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 17.0 m -106.07 135.17 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.415 ' CD1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -111.37 126.15 54.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.794 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.881 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 32.5 mmm -114.57 115.59 27.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 199' ' ' TYR . 3.7 mp -141.8 145.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.974 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.44 -162.8 28.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.64 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.434 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 8.7 p90 -148.08 175.18 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.728 0.299 . . . . 0.0 110.731 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.677 ' O ' ' HB3' ' A' ' 160' ' ' ALA . . . -159.02 -165.37 15.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.459 -0.876 . . . . 0.0 112.778 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.414 ' HA ' ' HB1' ' A' ' 160' ' ' ALA . 0.7 OUTLIER -141.68 131.05 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.794 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.555 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -101.11 131.63 46.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.029 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -105.34 124.64 49.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.0 155.13 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.886 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ttt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.784 0.326 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -118.36 150.63 39.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mttp -137.63 140.93 41.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.63 128.61 37.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 101.62 15.54 26.78 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.766 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.23 155.76 39.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 146.68 41.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.657 HG23 ' HA ' ' A' ' 206' ' ' LYS . 12.8 mt -144.11 145.34 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.553 HD13 ' N ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER -113.6 123.19 69.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' NE ' HD12 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -134.66 167.94 19.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.02 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.03 146.89 9.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.285 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.99 -158.45 8.63 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.589 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.637 ' CZ ' HG22 ' A' ' 43' ' ' THR . 12.4 t80 -134.66 160.98 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.38 142.64 32.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.145 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.482 HG22 HG23 ' A' ' 16' ' ' VAL . 2.7 m -98.5 130.59 45.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 17' ' ' ASP . 26.0 t 63.58 159.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' N ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -176.88 -61.94 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.424 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 56.7 Cg_endo -70.6 84.26 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.486 2.124 . . . . 0.0 112.275 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.76 33.72 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -86.74 -50.64 6.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.65 136.98 33.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.6 t -170.34 178.14 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.6 t 60.53 157.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -172.27 107.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 25' ' ' ILE . 4.1 mt -126.92 43.43 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -138.55 162.1 35.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.818 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.9 88.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.99 -41.09 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -160.65 67.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.08 166.24 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -111.58 49.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 96.37 3.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ptm85 -113.52 139.46 48.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.18 -139.86 4.79 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.2 t 42.82 83.53 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 111.53 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt 61.3 88.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.69 -36.42 51.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.8 p -75.76 124.63 27.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.24 31.09 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.27 85.77 7.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 m -88.58 -35.18 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.18 90.28 7.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.637 HG22 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -90.23 136.47 33.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.784 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.54 105.53 17.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.47 133.97 56.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.775 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.62 116.01 5.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.688 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.63 127.47 53.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.775 0.322 . . . . 0.0 110.578 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.2 m -133.02 137.49 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.322 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -122.03 112.43 18.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.425 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.75 129.97 41.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.941 0.401 . . . . 0.0 111.187 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.436 ' HB3' HG12 ' A' ' 59' ' ' VAL . 1.2 t80 -110.46 100.87 9.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.35 122.33 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -134.04 97.24 3.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 179.582 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.91 -175.87 0.13 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.228 -179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.43 33.56 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.78 0.324 . . . . 0.0 110.474 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -150.42 -37.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.725 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 96' ' ' LEU . 7.6 m95 -97.87 150.36 21.38 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.046 0.45 . . . . 0.0 111.517 -179.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -175.03 109.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG12 ' HB3' ' A' ' 51' ' ' TYR . 11.1 p -100.69 151.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 111.238 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.838 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -138.57 148.51 44.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.611 ' HG ' HD12 ' A' ' 94' ' ' LEU . 1.1 tt -129.38 122.47 29.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.798 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.9 152.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.281 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -158.39 124.63 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.5 163.57 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.132 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.8 p -85.33 148.86 50.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.02 175.77 9.34 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.637 2.225 . . . . 0.0 112.295 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -89.67 125.67 35.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.85 114.18 26.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -140.63 164.73 29.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.36 136.34 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -162.97 148.31 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -112.33 132.77 54.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.9 m -96.93 -30.47 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.91 113.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.82 -42.86 1.84 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 tp -97.47 155.8 16.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 169.13 -176.94 43.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.21 144.2 39.49 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.582 2.188 . . . . 0.0 112.368 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -168.64 -156.26 10.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.447 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.7 mt -90.4 -53.3 4.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.776 0.322 . . . . 0.0 110.953 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.0 p30 -164.03 -177.57 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 140.77 171.52 12.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -157.81 118.99 3.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.71 -51.01 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.88 112.57 22.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -102.2 151.66 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.961 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 pt -130.95 179.64 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.45 156.44 48.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -115.65 114.15 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.33 110.27 2.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -55.74 138.85 82.6 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.401 2.067 . . . . 0.0 112.163 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.35 144.34 61.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.465 2.11 . . . . 0.0 112.275 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.46 114.17 26.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.611 HD12 ' HG ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -100.37 146.26 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.32 122.88 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.785 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 57' ' ' TRP . 5.7 tt -89.45 148.42 23.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -140.73 158.08 44.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.455 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 43.2 p90 -145.29 127.11 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.449 ' HA ' ' CG ' ' A' ' 111' ' ' TYR . 7.4 p90 -132.19 73.43 77.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.803 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.439 ' HD2' ' CE1' ' A' ' 111' ' ' TYR . 53.1 Cg_exo -55.04 -48.17 22.54 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.561 2.174 . . . . 0.0 112.418 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.99 -27.56 61.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.04 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.92 94.65 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.511 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -177.19 57.55 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.572 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.63 -172.61 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.808 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -92.94 18.21 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.334 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.5 m -73.37 176.34 6.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.766 ' HB1' ' CE2' ' A' ' 154' ' ' TYR . . . -90.98 -64.3 1.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -92.47 141.82 28.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -131.62 90.53 36.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.017 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.434 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 58.8 Cg_endo -71.74 127.66 13.32 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.569 2.179 . . . . 0.0 112.261 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CG ' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -177.45 -164.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.871 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.95 -168.21 25.73 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.503 -0.856 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -155.44 -118.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.752 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -134.03 172.99 12.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.832 0.349 . . . . 0.0 110.976 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -131.87 -160.95 9.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.485 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 94' ' ' LEU . 12.3 p -104.06 153.36 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 111.09 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.4 ' N ' HG22 ' A' ' 116' ' ' VAL . 5.3 m-20 -106.89 153.28 22.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -77.6 179.75 6.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.1 p 57.97 106.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -160.68 123.36 3.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.36 111.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -110.57 144.2 39.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.92 150.74 36.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -102.96 -32.36 9.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.32 -33.74 61.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.1 mp -79.94 -28.37 39.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.09 -30.67 64.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.167 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.16 -179.72 7.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.64 164.56 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.64 -175.05 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.64 -31.84 57.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -101.37 -179.28 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -132.01 114.33 14.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -79.39 118.15 4.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -85.65 -31.71 22.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.842 0.353 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -67.04 -176.57 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 32.9 t -105.78 149.0 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 37.3 mtt -134.7 131.29 37.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -117.26 179.4 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.6 mt -70.46 166.4 20.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -160.49 95.76 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.2 t70 60.41 76.2 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.8 -72.75 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -82.38 111.66 18.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -75.25 146.98 35.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.531 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.54 103.59 12.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.33 106.26 8.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -87.23 136.94 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.55 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.71 119.54 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.823 0.344 . . . . 0.0 110.793 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.8 tp -123.23 153.9 39.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -170.21 -152.04 7.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.434 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 82.8 m-85 -134.68 129.44 34.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -112.79 125.01 53.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.766 ' CE2' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -99.48 106.4 18.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 3.7 mmt -102.85 103.79 13.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.962 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 159' ' ' HIS . 6.3 mt -111.74 -17.07 13.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.163 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 67.11 -75.86 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.834 0.349 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -29.48 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.998 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.648 ' HB3' HD13 ' A' ' 156' ' ' LEU . 1.2 t-80 -100.52 28.19 5.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . 66.27 -170.46 0.19 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.605 HD21 ' HA ' ' A' ' 205' ' ' TYR . 0.2 OUTLIER -142.42 139.22 31.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.404 . . . . 0.0 111.075 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -109.15 130.55 55.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.831 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -104.62 126.73 51.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.056 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.61 ' HG3' HG22 ' A' ' 201' ' ' ILE . 11.9 ttm -133.57 132.52 40.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -146.01 150.33 35.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.37 138.22 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.069 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.1 p-90 -118.02 -36.26 3.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -76.36 124.49 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 17.7 ptt? -161.53 148.95 14.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -157.7 98.33 1.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 171' ' ' ILE . 1.0 OUTLIER -173.45 63.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.89 -45.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.8 -66.88 0.33 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.049 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.51 -49.03 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 61.08 178.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 33.0 pt -91.8 136.71 23.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -77.03 142.94 39.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -113.4 65.25 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.95 -27.98 24.92 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.561 2.174 . . . . 0.0 112.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 5.4 t -124.01 41.2 3.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -67.95 163.63 21.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.6 mt -126.87 158.97 35.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 112.93 126.36 4.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.07 30.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 111.188 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.13 107.93 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . 0.591 ' HB3' HG13 ' A' ' 190' ' ' VAL . 21.3 mmtt -125.28 130.83 52.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 33.6 p -114.46 -33.86 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 48.69 1.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.591 HG13 ' HB3' ' A' ' 187' ' ' LYS . 2.8 m -107.01 148.15 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.056 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 60.84 71.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.49 HG13 ' N ' ' A' ' 193' ' ' ASP . 12.0 p -160.04 -44.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.49 ' N ' HG13 ' A' ' 192' ' ' VAL . 4.9 p-10 -93.18 47.54 1.27 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 5.5 m -112.76 125.86 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -110.45 123.69 35.15 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.2 82.46 1.58 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.45 2.1 . . . . 0.0 112.364 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -69.0 128.74 37.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.78 125.37 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.176 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.404 ' HD1' HG23 ' A' ' 201' ' ' ILE . 52.7 p90 -135.2 156.84 48.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 5.7 mmm -111.25 133.1 53.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.61 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.7 pt -139.96 138.81 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -172.68 178.58 44.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.614 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -139.82 164.73 29.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.822 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -166.68 -154.4 8.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.627 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.605 ' HA ' HD21 ' A' ' 161' ' ' LEU . 15.5 m-85 -151.6 159.72 43.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.657 ' HA ' HG23 ' A' ' 8' ' ' ILE . 27.2 mttt -94.44 140.8 29.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.92 120.36 31.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.8 mt -137.32 119.31 15.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.937 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 mmt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -75.79 136.38 40.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.84 152.62 46.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.834 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.48 138.95 57.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.89 15.52 39.14 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.712 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -79.19 144.0 34.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 111.024 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -100.52 137.35 39.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.824 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HB3' ' A' ' 206' ' ' LYS . 4.8 mp -141.83 141.23 29.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.9 pt -139.85 129.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.68 161.15 43.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.955 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -145.39 153.71 25.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.374 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -144.4 -174.72 16.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.723 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.406 ' CE1' ' HB ' ' A' ' 43' ' ' THR . 14.9 t80 -134.98 161.95 33.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.874 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.34 151.77 19.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.987 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 t -142.29 155.76 45.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.493 HG13 ' CZ3' ' A' ' 197' ' ' TRP . 21.5 t -123.62 80.46 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 2.0 m-20 -71.9 -60.71 2.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 57.0 Cg_endo -70.84 136.73 30.8 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.532 2.155 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.57 -67.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -103.83 -38.37 7.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 m 60.16 87.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.2 p -68.28 132.42 47.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.56 88.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.7 149.27 27.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.6 mt -75.34 139.22 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm 61.16 174.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.771 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 tt -85.24 85.12 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.4 104.99 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.79 120.51 4.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.492 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -132.16 119.92 21.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.82 159.69 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -101.46 149.67 23.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -98.1 152.54 19.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.13 -62.36 0.92 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 59.3 m -163.72 -44.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.65 147.33 24.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.99 -75.57 0.59 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.45 83.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 m -108.63 -28.06 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 61.36 76.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 44.1 t -80.19 -46.3 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.37 168.22 13.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.406 ' HB ' ' CE1' ' A' ' 13' ' ' PHE . 77.7 p -126.53 130.22 50.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.21 103.71 15.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.59 119.41 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.9 124.34 7.5 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.664 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.14 127.49 41.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.774 0.321 . . . . 0.0 110.573 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.2 p -130.14 139.14 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -110.13 104.58 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.468 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.478 HG23 HE21 ' A' ' 97' ' ' GLN . 85.9 m -96.62 138.11 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -122.73 108.14 12.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.67 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.446 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.29 128.48 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 10.7 t80 -138.0 97.38 3.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.153 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.21 -177.88 0.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.187 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -92.63 31.34 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.804 0.335 . . . . 0.0 110.545 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -150.51 -36.6 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.766 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.436 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -102.38 162.46 12.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 111.458 -179.307 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.07 143.78 5.48 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.146 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.0 t -100.73 151.11 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 111.254 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.69 124.35 12.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.77 150.43 38.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.94 135.12 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.34 129.39 14.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -132.53 163.72 28.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 t -130.89 79.33 71.85 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.79 -28.32 37.91 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.578 2.185 . . . . 0.0 112.317 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -95.39 158.88 15.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -176.34 -40.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -137.64 -65.49 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.44 160.03 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -104.46 -38.21 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -92.25 131.22 37.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -106.9 -37.66 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.179 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -133.64 128.91 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.42 102.23 2.57 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -61.16 137.4 58.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 0.0 110.897 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.96 -103.75 0.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.17 168.77 23.88 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.472 2.115 . . . . 0.0 112.428 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.26 170.47 44.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.365 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 127.39 32.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -151.39 -60.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.05 -78.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.83 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.69 0.281 . . . . 0.0 111.21 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.9 mt -110.02 164.68 12.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.8 -68.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -170.07 104.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.537 HG23 ' O ' ' A' ' 87' ' ' ILE . 19.1 tt -117.08 116.96 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.052 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.77 176.13 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.8 155.52 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.9 123.28 37.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -74.12 129.17 12.88 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.437 2.091 . . . . 0.0 112.264 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.65 163.0 39.77 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.513 2.142 . . . . 0.0 112.239 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.3 125.65 29.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.3 mp -111.07 145.35 38.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.6 mp -146.61 135.72 22.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -83.95 133.2 34.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.803 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.478 HE21 HG23 ' A' ' 50' ' ' THR . 0.0 OUTLIER -104.03 134.06 47.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.3 p90 -148.73 134.56 18.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -138.68 88.82 13.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -55.74 -50.54 12.23 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.61 2.206 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 33.33 2.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.03 110.96 4.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 142.8 57.99 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.26 179.59 6.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -76.63 -8.43 57.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.5 m -57.56 147.6 26.48 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -81.96 124.22 29.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.79 111.89 24.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.764 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.79 150.57 78.92 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.381 2.054 . . . . 0.0 112.213 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -129.24 131.89 47.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -86.16 136.05 13.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.442 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.91 127.77 5.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.579 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 138.25 52.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 147' ' ' ALA . . . -85.77 132.35 11.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.9 135.14 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -105.08 139.53 39.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -161.98 175.34 11.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.8 m -129.46 141.64 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.5 m -77.34 -43.54 32.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -109.51 159.44 17.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -149.88 103.73 3.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -146.81 134.44 21.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.34 -31.34 11.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -65.52 -56.35 12.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.7 mp -60.12 -52.85 63.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.05 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 12.1 t -64.88 127.94 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -162.59 -45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -91.98 -70.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -142.76 140.4 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -155.66 -65.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.68 107.89 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -127.08 -147.51 6.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -95.35 -64.74 1.03 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.0 t -162.3 145.78 11.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.41 -36.83 4.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.1 tpt 67.61 -69.88 0.13 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -74.05 98.82 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.7 mt -80.77 -59.54 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -144.01 103.05 3.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -134.24 33.38 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.4 p -123.23 100.59 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -97.59 124.63 41.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.64 91.93 1.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.7 mp -82.34 139.03 34.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.771 0.319 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.486 ' HB1' ' HZ2' ' A' ' 167' ' ' TRP . . . -169.66 136.22 1.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.86 159.53 19.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.667 ' OE2' ' HB1' ' A' ' 165' ' ' ALA . 55.8 tt0 -166.94 151.68 7.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 111.023 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.45 HD13 HG13 ' A' ' 166' ' ' VAL . 4.0 mp -113.82 147.65 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -127.49 124.1 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.632 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -104.87 102.99 12.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.677 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -91.12 139.97 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -128.38 124.16 35.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.731 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 2.6 mtt -93.65 110.17 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.057 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.5 mp -110.52 -24.3 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.77 -74.72 0.07 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -61.42 -27.35 68.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -119.57 32.79 5.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.158 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 61.13 -157.19 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.044 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 6.3 mp -116.6 145.91 43.05 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -103.01 120.47 40.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -107.37 121.6 44.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.625 ' HG3' HG22 ' A' ' 201' ' ' ILE . 3.2 ttt -110.98 161.63 15.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.667 ' HB1' ' OE2' ' A' ' 149' ' ' GLU . . . -146.87 145.97 30.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 199' ' ' TYR . 12.5 p -153.11 128.22 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.486 ' HZ2' ' HB1' ' A' ' 147' ' ' ALA . 0.0 OUTLIER -100.73 134.12 44.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -163.75 38.29 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.3 ttt -125.53 81.78 2.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -129.79 128.59 42.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 19.1 pt -98.44 31.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -137.93 89.26 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.38 -45.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.44 -25.65 10.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.057 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -55.01 114.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.72 88.87 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 19.6 tt -130.34 130.34 65.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -76.45 154.44 34.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 61.54 91.2 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.22 -28.09 28.26 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.555 2.17 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -174.78 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.551 ' HB1' HG22 ' A' ' 185' ' ' VAL . . . -124.4 165.31 17.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 183' ' ' LEU . 0.8 OUTLIER -103.39 -30.95 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 169.89 43.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.426 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.551 HG22 ' HB1' ' A' ' 182' ' ' ALA . 11.8 m -106.1 -31.7 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.86 7.56 33.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.65 167.25 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.8 0.334 . . . . 0.0 110.979 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.0 p -126.4 168.97 13.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -152.15 158.71 43.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.995 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.8 m -129.33 30.56 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.068 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -83.19 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 192' ' ' VAL . 14.1 p -166.03 38.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -146.1 65.65 1.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.14 -66.3 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.142 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -120.8 137.37 26.36 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.446 ' HB2' ' CE3' ' A' ' 167' ' ' TRP . 97.2 Cg_endo -79.77 78.49 3.68 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.56 2.174 . . . . 0.0 112.471 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.493 ' CZ3' HG13 ' A' ' 16' ' ' VAL . 27.8 p-90 -140.93 38.47 1.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.6 t -124.94 141.17 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.612 ' CE1' HG23 ' A' ' 166' ' ' VAL . 26.3 m-85 -106.45 170.96 7.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.607 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 11.4 ttm -137.99 136.45 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 164' ' ' MET . 38.2 pt -143.73 140.26 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -175.74 -162.67 27.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.618 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -148.45 158.18 43.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.26 -177.5 37.02 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.401 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -131.47 147.59 52.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HB3' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -120.59 119.85 34.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -62.34 135.28 57.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 7.7 mt -139.88 131.33 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 mtm . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.882 0.372 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.12 134.1 44.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -136.74 -177.76 4.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.8 140.69 39.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 87.47 15.36 62.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.679 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -77.99 143.05 37.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.728 0.299 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.452 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -104.33 117.1 33.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.452 HD13 ' O ' ' A' ' 7' ' ' PHE . 24.9 mm -128.18 139.28 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 HG12 ' CE1' ' A' ' 49' ' ' PHE . 21.7 mt -124.4 127.93 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -138.33 140.89 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.47 154.31 25.42 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.65 -162.63 12.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.426 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -144.25 161.88 37.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.76 145.79 37.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.53 133.29 36.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.6 p -96.52 150.62 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -70.36 117.23 52.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.86 -175.9 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.417 2.078 . . . . 0.0 112.331 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.14 -73.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -89.38 -51.09 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -166.1 -53.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.6 t -148.77 80.0 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.8 p -72.54 144.91 47.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.09 114.74 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mt 63.97 125.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -101.98 -67.9 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -98.46 155.81 17.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.08 33.88 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.96 165.53 28.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.54 159.51 35.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 60.4 74.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.8 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -138.69 171.2 14.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttt180 -113.13 31.03 6.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -139.67 56.22 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.577 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p -148.15 175.48 11.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -115.24 -63.43 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.98 79.08 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.2 p -103.86 -54.32 2.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.7 -26.39 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.262 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -176.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.025 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . 5.9 t -108.77 -32.52 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.42 -77.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 76.4 p -65.16 137.47 57.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.776 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -125.3 129.89 50.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.92 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mt -65.57 106.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.4 114.25 4.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.689 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.0 mp -107.75 139.83 41.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.664 0.269 . . . . 0.0 110.55 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 61' ' ' LEU . 21.2 m -141.54 140.4 33.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.978 0.418 . . . . 0.0 111.436 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' A' ' 9' ' ' ILE . 32.8 m-85 -117.49 105.71 12.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.398 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.81 139.07 31.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.014 0.435 . . . . 0.0 111.317 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -121.54 101.67 7.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.423 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 126.38 27.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.407 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.442 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 4.1 m-85 -137.99 97.27 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.068 -0.514 . . . . 0.0 109.995 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.13 -172.98 0.16 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.202 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -94.91 29.09 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.831 0.348 . . . . 0.0 110.601 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -150.47 -36.5 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.699 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.442 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.6 OUTLIER -91.48 146.46 23.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.032 0.444 . . . . 0.0 111.42 -179.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -162.43 117.52 0.77 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.16 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.78 132.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.54 143.04 33.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.018 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.877 HD21 HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -120.49 137.52 54.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.687 179.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.522 ' CG1' HD22 ' A' ' 95' ' ' LEU . 30.9 m -105.6 141.8 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.46 139.13 6.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -105.01 155.65 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 71.6 m -104.36 118.68 56.15 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 -61.71 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.463 2.109 . . . . 0.0 112.365 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 41' ' ' SER . 98.5 m-85 -135.23 -72.24 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.24 179.66 3.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -153.96 32.93 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -89.11 84.07 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.0 m 41.14 86.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.831 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' C ' HG23 ' A' ' 73' ' ' VAL . 35.5 t0 -130.05 145.89 51.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG23 ' C ' ' A' ' 72' ' ' ASP . 5.3 t 79.11 -55.53 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.272 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -106.5 132.55 52.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.51 45.16 1.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.0 mt 60.32 91.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.1 -159.04 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.576 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.37 -27.88 27.81 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.634 2.223 . . . . 0.0 112.261 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -97.22 -169.93 33.37 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 80' ' ' LEU . 0.2 OUTLIER -115.39 -38.73 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.811 0.339 . . . . 0.0 110.881 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.1 144.24 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -108.86 -118.5 4.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.37 -46.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.752 0.31 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 49.5 tp -177.47 -62.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.844 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.41 -175.93 3.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.06 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.51 173.51 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.5 pp -138.83 30.7 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -147.06 96.89 2.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.775 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -150.34 121.83 7.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.029 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.73 130.23 53.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.576 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -57.22 128.36 29.35 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.445 2.096 . . . . 0.0 112.112 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -80.47 148.16 18.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.561 2.174 . . . . 0.0 112.528 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.458 ' HB ' HG23 ' A' ' 62' ' ' VAL . 31.2 m -112.16 130.53 55.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.686 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.877 HD22 HD21 ' A' ' 61' ' ' LEU . 0.3 OUTLIER -96.62 139.85 32.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.956 -179.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 94' ' ' LEU . 4.4 mp -135.91 126.5 27.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.2 tp -86.88 132.32 33.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.49 131.44 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.979 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -126.8 150.2 49.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.824 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 111' ' ' TYR . 43.1 m-85 -119.48 79.95 21.77 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.81 -50.79 2.81 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.637 2.225 . . . . 0.0 112.144 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 30.64 6.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -96.91 138.86 14.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 111.44 49.01 0.67 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.513 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -127.08 -176.2 3.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.822 0.344 . . . . 0.0 110.851 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.469 ' H ' HG22 ' A' ' 104' ' ' THR . 37.8 t30 -95.72 18.27 13.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -89.9 155.34 19.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.827 0.346 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.4 -31.74 65.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -96.31 121.14 37.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.07 89.24 6.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.42 163.18 38.99 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.512 2.141 . . . . 0.0 112.284 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 37.4 p90 -171.94 159.39 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -115.23 165.41 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.392 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.53 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -149.68 155.97 26.54 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.623 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 113' ' ' GLY . 4.4 mm? -122.95 146.95 47.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.09 131.2 10.54 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.508 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.38 150.69 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.773 0.321 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -155.99 121.97 5.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -137.98 158.95 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 120' ' ' THR . 1.0 OUTLIER 59.8 170.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER 60.17 37.19 20.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 60.86 156.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -172.25 3.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.79 137.4 41.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.51 -19.56 49.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.199 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.42 -44.86 84.99 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -57.92 7.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.57 -29.32 70.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 10.8 p 59.66 164.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.5 114.28 20.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.04 145.41 41.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -137.77 94.73 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -127.82 157.26 40.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.77 -64.05 1.21 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -114.12 71.83 0.23 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -168.77 122.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.827 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m -143.34 118.29 10.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.1 t -75.68 112.82 12.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 105.82 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.602 ' C ' HD22 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -141.04 74.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 139' ' ' LYS . 3.8 mm? -131.93 164.83 25.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.71 -67.16 0.23 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -128.55 -58.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.42 117.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -150.99 113.75 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.602 ' O ' HD22 ' A' ' 146' ' ' LEU . . . -100.39 -59.56 0.84 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' ' 145' ' ' GLY . 3.6 mm? -128.0 -177.55 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -97.12 -168.46 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -95.22 141.63 15.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 144.18 43.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 0.0 110.838 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.43 134.48 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -174.17 -145.89 5.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -165.71 163.97 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -124.64 146.11 49.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.412 ' CE2' ' HG ' ' A' ' 156' ' ' LEU . 7.6 t80 -100.69 125.95 47.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -96.99 104.44 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.412 ' HG ' ' CE2' ' A' ' 154' ' ' TYR . 8.4 mt -109.4 -25.25 10.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.016 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 69.19 -67.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.86 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -70.27 -30.53 67.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.411 ' CB ' HD13 ' A' ' 156' ' ' LEU . 4.2 m80 -110.5 29.72 7.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.675 ' C ' HD12 ' A' ' 161' ' ' LEU . . . 61.92 -166.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.161 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.675 HD12 ' C ' ' A' ' 160' ' ' ALA . 6.1 mp -122.26 130.69 53.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -99.05 116.21 30.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.774 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -94.1 147.1 23.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.998 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.73 133.27 33.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -136.8 137.55 39.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -178.73 156.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.446 ' N ' HG22 ' A' ' 166' ' ' VAL . 12.1 t90 -100.27 151.32 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -134.7 152.18 51.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.799 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.14 -177.34 6.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -134.59 -47.13 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.574 HG22 ' HB2' ' A' ' 175' ' ' ALA . 2.4 pt -84.32 179.77 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -168.18 79.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.718 HG22 ' HE3' ' A' ' 174' ' ' LYS . 54.6 m 60.41 96.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . 0.718 ' HE3' HG22 ' A' ' 173' ' ' THR . 7.8 mttt 60.67 82.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.574 ' HB2' HG22 ' A' ' 171' ' ' ILE . . . -66.29 -38.88 88.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 49.8 m -60.16 170.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 21.2 mt -75.8 94.17 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -74.22 140.1 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -123.95 -95.5 1.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.83 179.06 5.65 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.454 2.103 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.72 -47.04 5.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 59.71 -178.0 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.189 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.578 ' H ' HD12 ' A' ' 183' ' ' LEU . 3.6 mp -58.1 125.49 23.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -106.35 45.03 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 19.0 m -83.65 137.23 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 111.132 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 60.88 87.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -62.59 141.39 58.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 81.8 p -83.62 123.9 30.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -88.87 97.07 10.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 4.9 m -112.4 -30.81 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.265 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.9 45.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.24 -30.9 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -110.55 32.0 5.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.17 91.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.02 148.94 97.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.49 173.11 12.11 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.544 2.163 . . . . 0.0 112.364 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -127.94 -178.84 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 27.6 m -128.01 159.71 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.39 129.84 55.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.801 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.32 126.21 55.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 pt -149.9 145.68 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.37 -169.44 38.49 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -128.78 176.22 8.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.506 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -162.12 -177.81 35.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -159.6 154.58 24.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.518 ' HE3' HD12 ' A' ' 208' ' ' LEU . 17.9 ttpt -86.79 134.27 33.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.78 129.07 53.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.518 HD12 ' HE3' ' A' ' 206' ' ' LYS . 0.8 OUTLIER -154.04 131.65 11.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.972 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . 0.418 ' HG3' HD22 ' A' ' 208' ' ' LEU . 3.4 mt-10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.897 0.379 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -86.17 130.0 34.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -139.76 154.98 47.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.85 126.26 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.066 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.85 15.5 10.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.733 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.57 135.02 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.759 0.314 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -95.47 136.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.682 HG23 ' HA ' ' A' ' 206' ' ' LYS . 26.4 mt -146.38 139.87 20.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.7 mp -116.8 124.75 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.24 133.99 45.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.995 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.67 155.04 23.67 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.332 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.29 140.62 15.94 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.614 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -146.26 121.0 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.9 151.72 26.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.105 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -126.18 144.09 50.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.727 HG12 HG12 ' A' ' 198' ' ' VAL . 5.7 m -151.73 126.76 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -88.98 107.21 16.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.14 -44.25 3.91 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.42 2.08 . . . . 0.0 112.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.18 164.62 12.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -81.92 -31.93 31.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t 60.53 159.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.53 164.77 29.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -94.31 101.59 13.56 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -113.41 -50.92 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 tp -69.26 144.27 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -91.63 105.55 17.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -28.76 17.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 60.96 104.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.23 142.04 3.53 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.65 0.64 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.42 -62.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 64.03 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -134.74 173.43 11.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -124.46 73.89 0.41 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.7 109.42 16.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.778 0.323 . . . . 0.0 110.885 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.574 ' HB2' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -112.56 -35.0 5.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.927 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 57.21 30.39 18.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.268 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.574 HG23 ' HB2' ' A' ' 36' ' ' LYS . 77.1 p -73.71 102.32 3.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.6 t -127.86 -46.55 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.6 157.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -30.77 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.47 53.19 2.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 p -81.42 161.61 23.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -131.84 109.58 10.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.89 124.41 27.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.699 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.06 133.23 10.29 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.703 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.78 141.47 36.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.754 0.312 . . . . 0.0 110.493 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 m -138.34 132.38 31.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.962 0.411 . . . . 0.0 111.342 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -119.24 109.89 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.269 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 60' ' ' GLU . 0.6 OUTLIER -94.61 130.02 41.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.297 -179.539 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -114.28 100.86 8.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 17.7 mtt -61.06 131.01 49.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.202 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -137.0 97.3 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.005 179.58 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 63.8 -174.28 0.16 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.162 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -95.07 31.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.828 0.346 . . . . 0.0 110.564 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -150.43 -34.75 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.917 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.423 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 20.2 m95 -100.35 148.33 24.82 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-O 121.077 0.465 . . . . 0.0 111.708 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -168.06 112.46 0.49 Allowed Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.07 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.0 m -108.6 142.27 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.332 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB3' HG22 ' A' ' 50' ' ' THR . 5.6 pt-20 -147.05 138.72 24.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 pp -106.4 134.83 48.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.786 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.7 m -112.39 155.62 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.259 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.86 119.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -103.09 162.73 12.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -88.97 127.57 55.26 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.93 179.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.414 2.076 . . . . 0.0 112.226 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -143.93 31.42 1.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -92.03 164.29 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -76.42 -38.23 55.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 62.8 -79.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 71' ' ' VAL . 10.3 p -154.43 68.24 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 111.033 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.77 36.8 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.8 p -110.98 -36.53 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -70.12 85.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 153.54 44.32 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.42 129.17 38.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.752 0.31 . . . . 0.0 110.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.3 106.88 0.93 Allowed Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -49.83 105.6 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.462 2.108 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -179.78 44.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -161.44 -55.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 59.94 62.49 1.65 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 173.7 135.83 2.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.31 155.85 19.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -139.15 162.56 34.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.97 43.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.105 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -98.59 -69.14 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.463 HG23 ' O ' ' A' ' 86' ' ' ASP . 2.3 pt -157.5 151.74 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.14 147.35 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.95 104.01 4.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.84 145.46 30.93 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.82 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.43 128.54 15.55 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.513 2.142 . . . . 0.0 112.236 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.37 165.12 31.41 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.422 2.081 . . . . 0.0 112.413 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.5 t -133.2 135.81 45.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.9 mp -96.71 151.88 19.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.455 HD22 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.73 114.22 12.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.787 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 114' ' ' LEU . 2.0 mt -80.33 139.28 36.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -131.44 140.48 49.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.98 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -139.74 149.83 44.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -104.73 89.33 2.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.99 -45.03 2.2 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.554 2.169 . . . . 0.0 112.334 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ttt -126.07 32.37 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.1 113.35 4.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 45.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.445 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.8 p -127.89 -170.85 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -95.1 18.28 12.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -84.2 154.11 23.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.794 0.33 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.72 -52.48 25.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -84.71 140.94 30.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -132.51 96.65 18.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 137.14 33.57 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.47 2.113 . . . . 0.0 112.222 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -123.78 158.09 32.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.62 136.26 6.36 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.6 ' O ' HD22 ' A' ' 114' ' ' LEU . . . -153.36 -157.25 7.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.448 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.6 HD22 ' O ' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -144.55 139.02 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.912 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -105.58 168.67 15.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.569 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.0 p -145.08 135.8 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.828 0.347 . . . . 0.0 111.069 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -145.72 150.74 36.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -158.68 113.3 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 m -121.14 156.78 31.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.2 m -85.82 -58.86 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.07 -49.76 26.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.59 150.84 39.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.4 t0 60.7 78.16 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -101.6 -28.94 12.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.56 -30.83 65.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.47 -30.75 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.32 -38.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.5 t 68.38 -68.56 0.17 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -159.98 130.61 5.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.798 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -87.43 176.87 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -155.62 89.26 1.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . 60.41 36.27 20.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -104.03 135.42 45.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -148.46 -126.7 1.58 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.549 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -140.76 30.47 1.86 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.786 0.327 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 p -111.92 -70.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.11 132.15 33.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.5 158.99 22.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.89 -177.9 4.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.66 161.58 29.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -115.31 112.69 22.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -99.49 31.82 3.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 67.5 m -101.79 34.79 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.95 126.23 29.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.81 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -117.9 154.53 16.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 7.8 tp -123.71 105.41 9.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -150.2 105.01 3.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -86.81 159.74 31.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.46 ' C ' HD12 ' A' ' 150' ' ' LEU . 2.6 tt0 -134.02 119.51 19.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.46 HD12 ' C ' ' A' ' 149' ' ' GLU . 9.8 mp -122.38 146.75 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -164.61 -175.98 35.92 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.571 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.19 161.16 20.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.328 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -119.76 136.69 54.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.048 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -141.2 100.94 3.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.751 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.33 130.23 42.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.505 ' N ' HD12 ' A' ' 156' ' ' LEU . 4.1 mp -111.73 -12.63 13.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.33 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 64.4 -78.58 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 111.047 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -65.99 -30.15 70.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -109.09 33.75 4.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 205' ' ' TYR . . . 63.91 -170.53 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.9 mp -116.85 128.27 55.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.433 ' CD2' ' HB3' ' A' ' 203' ' ' PHE . 8.9 m-85 -114.57 126.79 55.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -133.99 141.49 47.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.4 ptm -104.23 157.02 17.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -142.81 134.64 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 167' ' ' TRP . 11.1 p -157.93 158.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.488 ' N ' HG22 ' A' ' 166' ' ' VAL . 9.2 p-90 -124.8 84.28 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -127.86 88.43 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 7.9 mtt -111.86 145.83 38.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.85 30.24 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.1 mm -88.83 138.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 105.23 11.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.66 -66.82 1.04 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.805 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.99 37.26 3.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 66.81 -73.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.3 t 60.74 32.39 20.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.6 tt -153.06 138.25 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -82.16 141.72 32.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 77.68 144.67 2.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.89 100.49 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.572 2.181 . . . . 0.0 112.214 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.484 ' O ' ' HB3' ' A' ' 182' ' ' ALA . 1.4 t 77.42 -54.39 0.54 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 181' ' ' SER . . . 72.07 40.32 0.73 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.959 0.409 . . . . 0.0 110.917 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.23 116.57 12.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -109.71 -41.01 1.38 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 10.8 p -168.8 126.92 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.004 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -129.63 113.48 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.45 97.16 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 6.0 t -162.58 31.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -98.98 -37.38 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 190' ' ' VAL . 27.8 m -72.17 113.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.95 -54.1 14.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t 60.58 69.58 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.3 t70 61.57 18.67 9.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.4 t 51.57 97.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.37 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -97.86 143.81 26.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.11 127.17 11.8 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.569 2.179 . . . . 0.0 112.336 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -82.15 -178.81 7.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.727 HG12 HG12 ' A' ' 16' ' ' VAL . 26.9 m -82.21 131.02 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -146.52 149.89 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.11 114.86 29.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.5 tp -128.99 142.64 43.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.44 -168.74 18.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.564 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.433 ' HB3' ' CD2' ' A' ' 162' ' ' PHE . 28.9 p90 -161.88 166.94 25.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . 175.99 -165.85 36.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.616 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 160' ' ' ALA . 0.6 OUTLIER -146.82 153.21 39.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.793 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.682 ' HA ' HG23 ' A' ' 8' ' ' ILE . 2.3 pttm -86.87 128.23 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -81.06 137.83 36.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 mp -127.47 150.41 49.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.843 0.354 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -152.63 126.97 9.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.91 161.34 40.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.403 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -62.17 124.15 20.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.052 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.3 15.37 7.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.679 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -59.39 131.99 52.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.859 0.362 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CE2' ' CE2' ' A' ' 51' ' ' TYR . 96.1 m-85 -96.87 125.21 41.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.955 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.43 146.3 29.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 pt -116.75 138.4 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.566 ' NH1' HG21 ' A' ' 50' ' ' THR . 3.7 mmt85 -140.79 136.1 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -134.53 149.63 19.88 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.85 -165.5 26.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -131.65 159.81 37.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.9 126.07 29.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.034 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 199' ' ' TYR . 9.6 t -73.45 149.15 42.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG22 ' N ' ' A' ' 17' ' ' ASP . 11.4 p -142.65 158.99 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.495 ' N ' HG22 ' A' ' 16' ' ' VAL . 36.3 m-20 -102.3 98.27 10.21 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.05 60.04 5.38 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.54 2.16 . . . . 0.0 112.352 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.01 -47.52 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.36 -31.18 24.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.7 t -79.06 74.53 5.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.2 t -155.48 -46.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -122.01 95.0 4.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.47 75.81 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.419 HD12 ' HB2' ' A' ' 27' ' ' LEU . 2.5 pt -150.47 -179.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 39.85 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 ' HB2' HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -152.0 105.07 3.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.954 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -59.26 159.9 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.45 -111.1 3.3 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.9 92.25 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -141.06 -47.68 0.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -69.18 149.94 48.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.92 168.11 10.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 154.26 173.58 23.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.536 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.7 p -100.14 32.03 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.3 125.12 34.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.36 -51.84 2.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 m 60.13 159.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 40' ' ' ASP . 12.4 m -139.02 -47.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -121.36 89.61 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.4 m -88.01 -58.67 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -97.64 126.58 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.5 t -116.4 144.96 43.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -157.51 125.93 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.47 132.03 52.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -99.41 99.95 2.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.543 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.4 tt -106.32 129.27 54.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 0.0 110.754 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 61' ' ' LEU . 1.2 p -138.45 132.96 32.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.53 110.37 20.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.649 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 HG22 ' HG3' ' A' ' 60' ' ' GLU . 71.7 p -96.99 132.85 42.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CE2' ' CE2' ' A' ' 7' ' ' PHE . 7.4 m-85 -115.53 102.57 9.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.59 129.78 40.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.467 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 21.1 t80 -138.1 97.32 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.271 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.59 -179.52 0.21 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.34 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.72 33.17 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.867 0.365 . . . . 0.0 110.551 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.39 -36.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.617 -179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.467 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -100.02 145.09 28.3 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 111.259 -179.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.45 110.52 0.35 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 96' ' ' LEU . 4.6 m -101.1 145.93 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.625 ' HG3' HG22 ' A' ' 50' ' ' THR . 0.5 OUTLIER -129.79 133.33 46.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' O ' HG22 ' A' ' 48' ' ' THR . 3.8 mp -100.79 150.5 22.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.3 p -125.04 145.37 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.23 161.02 43.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.103 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.92 152.57 36.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.8 p -140.12 85.75 13.64 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.36 95.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.564 2.176 . . . . 0.0 112.294 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.92 126.02 53.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -129.15 -46.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -76.58 103.65 6.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -129.89 135.1 47.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.52 99.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.11 -73.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.1 m -146.45 32.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.81 101.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.0 -80.77 0.52 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.12 93.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.84 143.43 7.62 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.439 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.67 -177.4 3.36 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.591 2.194 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.58 69.89 0.76 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.527 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.8 mp -80.79 -178.02 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.817 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -151.0 140.82 21.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.43 31.1 20.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.74 100.72 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.822 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.19 86.51 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.03 134.59 33.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -98.12 37.24 1.45 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.8 pt -72.82 147.44 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -132.18 162.67 30.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.94 168.01 18.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.75 148.81 74.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -51.52 152.79 11.67 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.537 2.158 . . . . 0.0 112.304 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.26 135.09 26.19 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.549 2.166 . . . . 0.0 112.44 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -118.13 114.27 22.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -105.67 153.83 21.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 mp -146.24 133.6 20.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.437 ' HA ' HG12 ' A' ' 59' ' ' VAL . 5.3 tp -80.97 148.0 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -146.28 134.32 21.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -118.5 128.95 55.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -64.95 110.89 4.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.5 -51.01 6.94 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.483 2.122 . . . . 0.0 112.179 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 mtm -114.2 31.15 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.18 85.54 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.531 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.12 45.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.558 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.4 p -137.85 171.36 14.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.5 p30 -95.24 18.29 12.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 18.7 t -76.52 158.8 30.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -83.99 -30.94 25.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.129 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.02 128.0 33.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -113.4 74.57 2.16 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -74.98 163.17 35.91 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.6 2.2 . . . . 0.0 112.337 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -158.26 143.77 16.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.86 165.8 28.43 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.566 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 165.16 -151.17 19.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.549 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.8 mp -147.65 167.64 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -155.76 -151.44 5.9 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m -121.82 146.06 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -131.34 151.07 51.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -126.64 143.88 51.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.458 HG21 ' CE2' ' A' ' 121' ' ' PHE . 19.2 m -133.89 137.89 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.86 94.52 4.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.458 ' CE2' HG21 ' A' ' 119' ' ' THR . 11.4 m-85 -101.69 -32.5 10.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.23 116.71 19.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -98.76 31.41 2.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -101.81 -31.69 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -46.36 57.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -41.1 99.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.49 -32.29 66.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.2 t -90.96 171.73 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -118.56 87.81 2.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -163.97 150.73 11.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -135.5 162.38 32.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.23 166.32 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -113.38 -44.99 3.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.52 -102.36 0.32 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.588 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -98.09 37.34 1.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -126.42 -45.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.6 t -74.15 127.59 33.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.9 mmt -79.3 146.89 32.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 29.2 pttt -135.56 115.6 13.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.9 tp -65.24 -34.18 77.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -116.67 168.84 9.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.423 ' HB2' ' CE3' ' A' ' 144' ' ' TRP . 3.0 m-20 -116.11 18.88 15.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.216 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.5 m 52.46 29.95 7.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.784 0.325 . . . . 0.0 111.121 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.423 ' CE3' ' HB2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -71.14 128.9 37.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.948 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -164.23 109.93 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.445 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.14 122.58 31.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.52 100.78 6.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -69.16 157.1 53.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.548 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -147.1 140.19 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.7 mt -131.91 125.13 30.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -131.7 152.46 20.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -118.53 102.87 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.833 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.33 133.55 34.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -142.66 122.28 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 43.5 ttp -78.56 128.87 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.31 -36.04 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.676 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.99 -4.57 2.21 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.691 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.98 -47.42 9.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -138.83 -32.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.483 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -173.58 -155.43 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.817 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.488 ' N ' HD12 ' A' ' 161' ' ' LEU . 4.9 mp -116.44 132.47 56.67 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.794 0.33 . . . . 0.0 110.786 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.428 ' CD1' ' HB3' ' A' ' 203' ' ' PHE . 0.2 OUTLIER -95.57 136.76 35.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.033 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -135.13 141.89 46.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.67 162.3 13.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.888 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -141.59 112.23 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.2 p -129.23 142.69 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.035 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 13.2 t-105 -74.51 -60.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -140.22 99.49 3.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -110.82 34.65 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -97.92 -31.57 12.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 171' ' ' ILE . 1.0 OUTLIER -130.16 119.17 46.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -171.01 83.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 26.1 m -118.13 115.9 25.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -118.82 31.46 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.822 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -137.99 114.23 10.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.086 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 -45.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.531 ' O ' HD12 ' A' ' 177' ' ' ILE . 1.3 pp -137.73 93.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -68.12 127.7 33.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 147.53 -82.84 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.457 ' HD2' HD12 ' A' ' 177' ' ' ILE . 53.9 Cg_exo -52.31 165.01 1.09 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.592 2.195 . . . . 0.0 112.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 53.5 m -148.34 -62.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 60.13 31.16 20.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.1 85.99 5.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -161.17 -145.38 4.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 185' ' ' VAL . 11.1 m -80.41 87.12 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -74.91 117.23 16.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.817 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -69.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 2.1 t -145.49 83.35 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -152.57 -57.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 190' ' ' VAL . 13.3 p -142.93 45.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.055 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -83.0 -65.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.0 p -81.8 -14.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.556 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -83.67 57.0 3.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 194' ' ' VAL . 9.9 p -153.01 109.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.064 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.14 121.19 84.0 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.63 139.36 33.89 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.402 2.068 . . . . 0.0 112.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -132.2 174.08 10.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.5 m -153.36 160.14 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.439 ' H ' HG22 ' A' ' 15' ' ' THR . 0.2 OUTLIER -129.33 139.49 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.888 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 1.2 ttt -124.02 142.69 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pt -147.92 120.48 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.71 -172.73 26.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.472 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.428 ' HB3' ' CD1' ' A' ' 162' ' ' PHE . 50.0 p90 -137.62 162.56 33.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.07 154.57 25.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -127.2 155.97 42.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -86.76 139.33 30.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.84 130.79 44.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.442 ' N ' HD22 ' A' ' 208' ' ' LEU . 3.7 mm? -76.87 153.43 34.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.854 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.849 0.357 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -112.19 109.42 19.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.795 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -157.23 159.84 38.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.12 129.82 41.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.17 15.41 23.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.733 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.1 OUTLIER -91.55 169.56 10.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 0.0 110.79 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -133.41 123.45 25.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.508 HG22 ' CG ' ' A' ' 206' ' ' LYS . 3.6 pt -135.47 120.83 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.002 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.0 pt -95.11 151.49 3.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.301 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -146.18 158.8 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.787 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.85 168.38 13.02 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.622 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.0 137.28 9.12 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.407 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' HE1' HG21 ' A' ' 43' ' ' THR . 0.7 OUTLIER -141.01 119.0 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.77 151.76 21.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.4 p -92.28 126.83 37.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 18.7 m -115.35 18.87 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.342 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.63 80.97 0.27 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.6 -28.06 26.47 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.469 2.113 . . . . 0.0 112.26 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.36 143.87 5.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.783 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -93.48 -40.44 10.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.3 m -111.63 167.6 10.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.31 73.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.7 t -121.65 -1.3 9.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.451 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t0 60.96 31.51 19.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.745 0.307 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 7.1 pt -150.22 100.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.485 ' HB2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -78.66 -36.71 43.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 26' ' ' LYS . 0.5 OUTLIER 179.56 78.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.868 179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -149.69 126.55 11.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.951 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.21 -54.81 4.73 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.549 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.93 -59.46 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.73 145.37 31.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -176.63 119.37 0.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -139.82 -48.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -144.48 78.76 0.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 p -75.37 148.83 38.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.771 0.32 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -136.31 -68.43 0.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 38' ' ' THR . . . -130.23 -67.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.037 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -159.67 -73.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.936 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 m -114.56 -36.77 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.36 32.95 19.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -82.52 -39.46 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.4 113.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.468 HG21 ' HE1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -103.93 161.18 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.802 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -115.58 129.45 56.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.2 mp -72.5 122.04 20.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.7 118.27 6.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.704 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 pp -113.05 131.15 55.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.759 0.314 . . . . 0.0 110.719 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.7 m -137.05 132.34 34.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.212 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -121.23 104.64 9.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.511 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 60' ' ' GLU . 2.7 m -97.69 146.01 25.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.368 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.64 115.61 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.404 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 1.4 mtp -67.86 124.56 23.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -136.27 97.21 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.995 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.94 -173.59 0.16 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.101 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -95.23 30.77 2.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.78 0.324 . . . . 0.0 110.512 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.45 -35.59 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.957 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -96.41 138.77 33.51 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.104 0.478 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -159.76 108.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.063 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.2 m -100.71 141.5 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 111.229 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.743 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.6 OUTLIER -147.0 151.51 37.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.63 123.52 43.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.823 HG23 HD21 ' A' ' 95' ' ' LEU . 21.6 t -100.88 141.51 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.255 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . . . -159.4 126.75 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.03 163.7 27.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.4 m -91.6 111.4 49.09 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.64 177.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.387 2.058 . . . . 0.0 112.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -81.4 175.53 10.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -154.52 90.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -138.05 86.72 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.34 157.36 44.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 71' ' ' VAL . 28.0 m -129.07 107.67 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.202 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -129.66 -169.4 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 73' ' ' VAL . 18.7 t -97.94 37.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -135.81 104.97 5.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -166.36 -49.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.541 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.3 mt -135.17 155.4 50.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 110.957 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.32 177.72 49.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.05 127.44 14.36 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.52 2.146 . . . . 0.0 112.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.26 -171.54 24.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.24 154.8 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -150.82 103.95 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.8 -67.53 0.63 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -76.38 144.35 40.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.9 99.76 10.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.58 126.51 30.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.39 158.91 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.5 mp -132.81 141.87 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.57 107.72 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -94.7 98.42 10.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.01 128.65 80.72 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.84 166.56 1.38 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.414 2.076 . . . . 0.0 112.258 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 55.6 Cg_endo -69.87 158.28 57.35 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.558 2.172 . . . . 0.0 112.315 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.0 t -72.22 134.96 45.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.4 tt -112.33 136.56 51.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.823 HD21 HG23 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -139.22 168.53 19.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.573 ' O ' HD12 ' A' ' 96' ' ' LEU . 2.4 pp -130.28 134.43 47.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -110.81 152.02 27.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' HE1' HD13 ' A' ' 96' ' ' LEU . 13.4 m-85 -133.23 127.03 32.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.829 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.487 ' CG ' ' CE2' ' A' ' 111' ' ' TYR . 3.8 p90 -135.58 79.52 47.19 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.55 -32.06 12.7 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.525 2.15 . . . . 0.0 112.369 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 tpp -104.16 31.87 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -94.83 98.15 2.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 156.76 43.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.509 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.536 HG23 ' H ' ' A' ' 106' ' ' SER . 7.3 t -103.86 -178.39 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -95.63 18.34 13.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.536 ' H ' HG23 ' A' ' 104' ' ' THR . 0.3 OUTLIER -100.63 159.75 14.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.901 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.55 -31.14 47.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -73.88 112.25 9.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -113.76 81.68 5.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.24 134.62 25.27 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.542 2.161 . . . . 0.0 112.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.487 ' CE2' ' CG ' ' A' ' 99' ' ' TYR . 9.5 m-85 -131.1 130.79 43.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.66 139.23 26.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -120.54 126.76 6.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.01 129.39 21.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.1 149.55 20.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.1 p -107.99 136.22 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -155.3 139.57 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.36 122.84 45.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.5 t -173.96 129.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.6 p -79.68 134.92 36.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -80.71 163.6 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.88 31.53 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -135.17 31.0 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -77.81 -31.49 51.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.4 -30.9 66.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.37 -44.1 92.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.07 -47.56 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.7 p 58.33 177.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -135.34 90.89 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 60.7 23.88 13.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt 54.7 30.43 13.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -158.21 123.27 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 59.46 97.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -147.26 71.83 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.441 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -111.28 -74.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.4 m -72.2 -51.13 22.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.5 m 60.31 94.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.79 82.12 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 2.0 tttm -168.21 156.5 8.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.36 87.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -109.9 153.47 24.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -149.67 -47.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.2 m -166.92 171.67 11.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -151.9 147.09 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.26 170.09 17.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.467 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.1 pp -149.46 84.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.743 0.306 . . . . 0.0 110.841 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -175.95 109.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.051 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -102.0 140.24 14.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -158.8 152.4 23.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.18 117.21 33.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.23 116.78 5.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.56 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.36 122.76 44.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.775 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -109.52 142.07 41.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -134.64 113.36 11.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.75 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 13.9 ttt -85.65 118.47 25.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.444 HD13 ' HB3' ' A' ' 159' ' ' HIS . 4.6 mt -111.73 -2.89 15.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 65.34 -77.6 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.774 0.321 . . . . 0.0 111.473 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -81.67 -29.68 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.455 -179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.444 ' HB3' HD13 ' A' ' 156' ' ' LEU . 6.1 t-80 -96.63 33.82 1.77 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.222 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 205' ' ' TYR . . . 55.51 -158.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.038 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.67 145.49 43.39 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.55 121.2 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.83 123.31 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.43 135.37 55.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.792 ' HB3' ' HB3' ' A' ' 200' ' ' MET . . . -131.65 118.07 19.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 20.2 m -135.24 144.84 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -161.17 97.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.941 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -68.16 140.32 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 13.9 ttm -129.7 151.4 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.32 -50.98 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.17 179.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -101.43 130.39 47.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.6 m -91.62 109.48 20.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.32 84.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -87.32 77.95 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 9.1 t -134.13 -47.57 0.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 16.7 tt -108.45 147.45 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -65.95 150.5 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -111.72 92.9 0.67 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.544 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.54 -36.79 61.11 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.589 2.193 . . . . 0.0 112.31 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.3 t -174.65 -61.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -135.69 178.0 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.37 124.36 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -82.34 177.75 53.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.53 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.6 m -64.9 -179.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -158.65 177.97 10.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -147.41 -60.49 0.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 23.9 p -73.67 -35.65 65.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -179.27 6.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 19.1 t 65.01 89.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.31 47.99 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 194' ' ' VAL . 26.1 t 65.69 84.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.05 31.5 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 194' ' ' VAL . 21.1 m -93.01 97.93 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.085 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -117.36 139.87 26.6 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.15 -173.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.459 2.106 . . . . 0.0 112.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -95.86 112.81 24.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 27.2 m -96.13 154.0 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.151 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.51 140.68 52.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.862 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.792 ' HB3' ' HB3' ' A' ' 165' ' ' ALA . 3.3 ttt -101.18 115.8 31.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 19.3 mt -134.86 139.0 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -150.32 -166.97 13.96 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.583 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -123.64 -179.18 4.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.31 143.98 11.73 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 160' ' ' ALA . 1.9 m-85 -148.06 138.75 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.508 ' CG ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -110.82 140.38 45.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -79.33 118.22 21.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.6 mt -109.09 119.36 39.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.933 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -74.5 97.38 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.3 146.95 51.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.98 130.33 40.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.26 15.45 35.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.646 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -82.15 152.14 26.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.812 0.339 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -115.49 131.51 56.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG23 ' HA ' ' A' ' 206' ' ' LYS . 25.1 mt -134.08 147.82 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -120.62 150.76 23.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.95 145.4 6.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.61 151.18 23.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.508 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -162.41 -142.18 3.32 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.53 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -133.13 148.5 52.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.597 ' HB2' ' HG2' ' A' ' 200' ' ' MET . . . -130.83 133.47 45.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 p -93.25 118.77 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.6 m -117.52 136.97 52.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -159.66 91.85 1.81 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.79 98.29 0.5 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.451 2.1 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 t70 61.07 90.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.42 -51.44 20.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -106.43 119.51 39.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.7 p -104.25 -38.64 6.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.5 t -71.72 150.87 44.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.11 -177.31 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.86 136.66 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -147.08 29.37 0.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.8 mt 58.87 94.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.981 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.66 -57.07 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 143.49 -165.34 27.15 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.603 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.53 39.52 2.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.307 . . . . 0.0 111.052 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.49 104.9 16.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 62.4 118.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -145.11 -48.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.94 92.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 -47.39 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -86.96 142.79 27.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.76 67.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -100.53 153.43 19.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 39' ' ' VAL . 11.5 p -139.37 61.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.029 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -108.93 97.04 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -93.14 -57.36 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.6 t0 60.7 97.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.2 m -112.15 110.99 21.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -82.88 162.87 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 tp -75.21 138.84 42.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -111.2 115.81 4.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.573 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.5 151.81 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 m -145.91 147.65 31.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.24 106.66 5.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.632 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.642 HG23 ' OE1' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -94.82 135.52 36.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.997 -179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -114.69 103.65 11.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.765 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.85 122.44 19.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -134.83 97.33 3.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.28 179.566 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.73 -175.87 0.13 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.482 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -93.51 35.85 1.1 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.868 0.366 . . . . 0.0 110.44 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.1 mttp -150.17 -37.2 0.15 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.517 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 2.1 m0 -97.27 141.76 29.98 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.878 0.37 . . . . 0.0 111.324 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -164.78 100.53 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.306 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.71 139.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 111.156 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.642 ' OE1' HG23 ' A' ' 50' ' ' THR . 4.1 tt0 -124.02 141.19 52.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.946 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.723 HD11 ' HB2' ' A' ' 92' ' ' PRO . 8.0 tt -104.3 147.37 27.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 28.9 t -127.81 141.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.032 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.91 170.17 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.19 163.67 33.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.18 104.32 11.74 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.34 127.39 14.86 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.401 2.067 . . . . 0.0 112.3 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.77 87.37 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -96.67 172.0 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -87.96 170.83 10.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.48 90.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.05 81.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.97 99.36 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.99 -56.52 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -104.27 94.61 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -147.25 -57.11 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mt -137.15 137.2 38.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -137.59 139.0 10.09 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.88 -41.37 75.3 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.484 2.123 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.28 45.81 29.27 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.6 -47.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -106.15 -56.84 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 157.24 -167.24 33.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -83.14 142.83 30.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -170.43 34.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -128.13 100.32 5.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.4 pt -92.82 -30.6 4.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -95.88 137.17 35.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.45 152.46 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.4 pp -59.91 135.94 90.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 83.8 Cg_endo -78.29 128.28 8.82 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.416 2.077 . . . . 0.0 112.364 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.723 ' HB2' HD11 ' A' ' 61' ' ' LEU . 19.8 Cg_exo -65.5 165.11 23.73 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.496 2.131 . . . . 0.0 112.142 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.8 p -90.76 137.02 32.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.743 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.65 155.48 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.992 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.656 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.3 mt -135.0 124.74 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.758 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.14 129.05 34.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.96 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -122.93 153.41 39.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -129.6 138.45 51.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.772 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 99' ' ' TYR . 17.4 p90 -136.74 91.17 15.8 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.95 -28.11 13.53 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.51 2.14 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -90.69 -27.57 18.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.71 93.73 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.536 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 176.28 43.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.435 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -135.12 -170.78 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.435 ' H ' HG22 ' A' ' 104' ' ' THR . 42.5 m-20 -93.6 18.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.311 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -73.82 151.74 40.46 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.828 0.347 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 -38.58 62.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -91.38 126.81 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -121.91 81.66 42.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.43 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 57.5 Cg_endo -71.1 159.44 52.26 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.369 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -172.83 173.39 3.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.455 ' HA3' HD12 ' A' ' 150' ' ' LEU . . . 162.96 162.53 13.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -168.95 -120.5 0.53 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.52 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.633 HD13 HD11 ' A' ' 146' ' ' LEU . 14.1 mt -141.3 141.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.788 0.328 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.656 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -111.86 173.38 15.55 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.89 177.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.337 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -152.65 129.25 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -130.27 139.12 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.1 m -148.14 158.51 44.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.82 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.73 31.56 0.96 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -118.5 102.78 9.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -100.07 30.48 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.18 -29.17 13.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.37 -27.8 62.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.048 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.91 -46.28 85.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.5 mp -63.17 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.88 -48.67 68.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 66.6 m -94.72 94.05 7.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -172.3 77.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.3 -40.18 1.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -50.79 137.23 20.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.112 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -132.48 77.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.44 -47.27 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.19 -128.68 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.455 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 60.6 90.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.849 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.3 p -97.51 38.85 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.19 -176.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 60.75 165.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -94.26 143.87 26.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.6 tp -110.55 -32.33 6.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -62.38 153.51 30.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.83 41.78 14.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.54 -57.24 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -103.9 175.91 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 115.12 -49.83 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.461 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.633 HD11 HD13 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -100.1 149.05 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.777 0.323 . . . . 0.0 110.898 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -167.69 113.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -84.21 148.77 24.49 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.567 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.92 142.65 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.455 HD12 ' HA3' ' A' ' 112' ' ' GLY . 0.3 OUTLIER -137.8 146.37 43.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -152.93 -179.49 28.51 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 18.3 m-85 -132.97 123.59 26.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -121.74 130.74 53.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 162' ' ' PHE . 17.5 p90 -150.75 148.35 28.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 38.2 mtt -74.54 133.11 42.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.837 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.565 HD11 ' HD2' ' A' ' 162' ' ' PHE . 15.8 mt -101.14 -10.58 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.328 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.5 m120 69.44 -67.07 0.23 Allowed 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.31 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.85 -39.74 69.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 32.03 3.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . 62.79 -85.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.176 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.45 167.07 22.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.061 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.565 ' HD2' HD11 ' A' ' 156' ' ' LEU . 13.1 t80 -130.45 145.46 51.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.447 ' N ' ' CD1' ' A' ' 162' ' ' PHE . 8.1 t30 -142.05 138.99 32.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 9.7 ttp -130.19 156.96 43.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.695 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -146.61 139.45 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.112 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 11.3 p -159.83 144.97 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.63 131.58 45.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -111.48 125.66 54.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 36.5 ttp -75.63 123.3 25.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -157.66 117.93 3.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 4.2 tt -177.46 -39.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -92.9 -54.75 3.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 40.4 p -111.52 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 31.31 6.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -175.11 147.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 54.3 m -162.3 127.18 3.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.9 mp -134.91 128.79 50.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -82.71 125.83 31.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -161.06 92.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.38 141.86 52.73 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.575 2.183 . . . . 0.0 112.29 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 22.7 t -109.3 -65.35 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -128.24 -62.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.12 173.05 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 146.37 138.16 3.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 185' ' ' VAL . 9.6 m -88.71 93.99 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.772 0.32 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -125.7 -70.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -72.96 89.62 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.14 165.52 27.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.816 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -95.15 141.8 28.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.94 -66.74 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -163.86 -59.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.587 ' O ' HG12 ' A' ' 192' ' ' VAL . 15.9 t 62.66 31.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -142.48 73.53 1.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 14.2 m -149.52 143.94 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.86 112.78 47.55 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.67 -178.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.394 2.063 . . . . 0.0 112.329 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -79.96 -48.6 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.2 m -148.4 127.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.162 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -146.53 170.54 16.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.695 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 13.0 mtt -148.84 115.89 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.79 136.29 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.065 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -174.2 -164.08 28.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.513 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.7 164.99 20.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 110.792 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.64 -172.21 18.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.622 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -155.14 127.12 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.746 0.308 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.544 ' HA ' HG23 ' A' ' 8' ' ' ILE . 1.1 tttp -91.15 129.52 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -92.35 120.83 33.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.589 HD23 ' H ' ' A' ' 208' ' ' LEU . 0.6 OUTLIER -67.95 157.64 34.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.698 0.285 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.97 97.7 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -158.48 179.71 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.77 133.17 47.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 112.97 13.2 11.27 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.712 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -97.07 161.32 13.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.78 0.324 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -148.47 145.41 27.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.503 HG23 ' HA ' ' A' ' 206' ' ' LYS . 6.0 mt -123.92 149.39 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -119.21 106.67 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.138 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.64 168.0 9.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.0 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -178.66 122.22 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.417 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.8 -130.84 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.523 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -142.15 149.7 40.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.46 145.62 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.7 p -106.38 125.61 51.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 p -136.27 152.11 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 60.56 82.5 0.22 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.41 -61.14 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.565 2.177 . . . . 0.0 112.285 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -104.01 166.88 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -106.41 -46.89 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.05 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.826 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m 60.61 31.63 20.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.29 129.78 34.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.24 84.71 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.2 tp -119.98 146.09 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.85 111.23 3.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -120.51 153.42 36.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -130.08 118.21 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.05 35.71 57.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.09 95.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.67 163.43 25.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.91 81.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 60.96 -176.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.762 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -134.12 -118.86 1.92 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.586 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 p -67.82 129.39 39.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.804 0.335 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.62 30.0 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.02 41.29 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p 55.88 175.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 m -115.16 -37.54 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.156 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 60.66 159.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.3 m -60.74 -41.98 96.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.94 31.18 19.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.6 p -133.22 121.2 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 135.26 54.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 117.1 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.759 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.62 138.97 23.9 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.597 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -134.96 138.81 44.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.714 0.292 . . . . 0.0 110.707 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 m -143.53 134.5 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.048 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -109.07 125.96 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 m -106.33 139.21 41.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.43 100.88 5.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.516 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.59 120.08 16.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 57' ' ' TRP . 1.6 t80 -137.96 97.1 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.114 179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 61.65 -176.56 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.264 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.66 33.33 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.891 0.377 . . . . 0.0 110.401 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.42 -36.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.741 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 3.5 m0 -96.31 142.78 28.04 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.093 0.473 . . . . 0.0 111.503 -179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.4 134.9 3.57 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.063 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.506 HG12 ' CD2' ' A' ' 61' ' ' LEU . 12.0 t -107.07 142.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.886 0.374 . . . . 0.0 111.374 -179.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -139.57 111.55 7.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.73 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' CD2' HG12 ' A' ' 59' ' ' VAL . 3.5 mm? -101.74 150.38 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.951 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 26.1 t -117.41 131.4 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 47' ' ' LEU . . . -144.41 127.87 16.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.32 163.53 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.5 p -115.62 72.92 4.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.16 146.52 32.19 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.62 2.213 . . . . 0.0 112.309 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -107.79 152.52 24.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.56 -70.89 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 61.47 109.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -62.3 159.62 14.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 72' ' ' ASP . 11.1 p -167.75 -43.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.057 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' N ' HG13 ' A' ' 71' ' ' VAL . 4.4 t0 -90.13 163.64 14.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -142.47 83.56 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.88 126.93 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.15 29.39 0.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.514 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 tp -73.4 -34.53 65.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 68.28 91.01 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.57 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 -27.78 28.2 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.629 2.22 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.63 -174.64 23.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 80' ' ' LEU . 7.0 mp -95.52 125.29 40.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.58 175.47 13.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -152.88 49.99 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -69.67 -68.81 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.857 0.361 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.1 -31.21 9.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.69 179.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -70.03 -177.79 1.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 87' ' ' ILE . 7.2 tp -174.71 115.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -126.43 -44.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -104.47 92.85 4.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 tt -58.78 110.19 2.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.02 131.49 12.06 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.349 2.033 . . . . 0.0 112.401 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.97 131.33 15.46 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.407 2.071 . . . . 0.0 112.29 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.48 126.16 29.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.46 134.41 41.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.01 129.82 34.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -95.57 138.08 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -107.71 118.41 36.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.56 148.8 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -122.25 77.78 43.64 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.13 -51.0 11.21 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.636 2.224 . . . . 0.0 112.298 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.0 mmt -115.11 32.47 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.48 98.74 0.29 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.536 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.5 52.14 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -118.21 -177.65 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -96.98 18.26 15.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 m -82.43 144.1 30.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.65 -58.1 10.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -76.69 144.67 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -117.09 88.42 26.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -66.69 173.21 8.29 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.777 2.318 . . . . 0.0 112.153 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CZ ' ' HA3' ' A' ' 151' ' ' GLY . 38.9 p90 -160.38 130.03 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -70.23 129.59 20.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.48 124.6 6.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 129.69 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.532 ' CA ' ' HB3' ' A' ' 147' ' ' ALA . . . -103.84 145.66 16.18 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.522 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.38 153.08 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 111.097 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -140.33 118.46 11.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -129.63 119.34 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.6 p 56.26 103.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 120' ' ' THR . 12.1 m -123.58 32.51 5.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -135.21 84.7 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 68.49 -68.88 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 32.7 t70 60.7 19.85 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -103.07 -71.2 0.73 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.848 0.356 . . . . 0.0 110.789 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -71.25 -38.68 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.11 -29.65 70.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -57.78 -30.64 65.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 11.6 m -69.88 105.52 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -100.05 106.66 18.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -48.85 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -96.53 89.94 5.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -154.28 114.7 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -129.71 -48.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.789 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.14 61.41 0.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -123.86 141.22 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.12 100.04 4.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.2 p -120.55 98.77 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.8 mtt -70.61 -63.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 12.8 tttt 60.6 26.35 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 mp 55.58 -175.27 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 59.64 39.47 21.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -141.58 37.05 1.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.7 p -122.55 126.65 48.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -73.97 164.68 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.34 -175.96 14.13 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.06 167.86 10.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.532 ' HB3' ' CA ' ' A' ' 115' ' ' GLY . . . -157.3 113.06 2.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.45 117.86 4.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -134.3 144.79 48.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 132.31 43.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' CZ ' ' A' ' 111' ' ' TYR . . . -126.87 166.49 19.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.47 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -136.77 114.32 11.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.08 121.81 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.781 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -129.85 111.02 12.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.695 ' HB3' HD22 ' A' ' 161' ' ' LEU . 9.2 mtm -102.76 135.0 45.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mp -103.27 -37.16 7.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.79 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 76.2 -1.17 2.98 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.519 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -85.98 -45.09 11.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.865 0.364 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -137.15 -32.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.392 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -175.57 -166.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.795 0.331 . . . . 0.0 111.198 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 155' ' ' MET . 4.3 mt -119.98 132.54 55.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.806 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -104.17 138.96 39.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.32 139.16 49.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.6 mtt -105.29 151.04 24.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.691 ' HB3' ' HB2' ' A' ' 200' ' ' MET . . . -148.56 133.0 17.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.041 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.7 m -150.66 161.11 3.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -58.59 2.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.31 167.53 6.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -164.23 104.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -126.36 99.71 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.513 HD12 ' OD1' ' A' ' 172' ' ' ASP . 2.6 pt -110.39 -29.31 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.209 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . 0.513 ' OD1' HD12 ' A' ' 171' ' ' ILE . 1.3 m-20 -120.32 171.51 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 62.6 m -92.94 -30.35 15.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 61.94 91.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -82.28 120.96 26.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.604 ' HB2' HG11 ' A' ' 185' ' ' VAL . 18.3 p -157.84 136.98 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.414 ' O ' HG21 ' A' ' 185' ' ' VAL . 2.5 pt -91.66 151.82 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -69.03 115.4 8.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -151.65 75.55 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.518 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.24 121.84 8.41 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.63 2.22 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.3 m -163.85 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -138.9 -64.82 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.485 ' H ' HD12 ' A' ' 183' ' ' LEU . 2.1 mp -72.0 -51.34 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 66.67 98.76 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.604 HG11 ' HB2' ' A' ' 176' ' ' SER . 16.6 m -61.12 179.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.84 0.352 . . . . 0.0 111.037 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -85.62 -177.66 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . 0.66 ' O ' HG23 ' A' ' 188' ' ' THR . 34.0 tptt -150.15 151.11 32.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 187' ' ' LYS . 0.7 OUTLIER -168.58 92.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.947 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . 0.479 ' HG3' HG13 ' A' ' 190' ' ' VAL . 0.1 OUTLIER -65.64 -31.59 72.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.479 HG13 ' HG3' ' A' ' 189' ' ' LYS . 16.3 m -112.77 179.52 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -137.38 -51.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 192' ' ' VAL . 11.0 p -154.18 59.06 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.96 -56.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 16.7 t -109.87 -24.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.283 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -53.81 133.3 56.9 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -74.44 159.17 43.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.469 2.113 . . . . 0.0 112.426 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.425 ' O ' HG13 ' A' ' 198' ' ' VAL . 0.9 OUTLIER -153.63 163.94 39.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 197' ' ' TRP . 6.2 m -155.79 135.17 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.175 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.53 127.23 43.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.797 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.691 ' HB2' ' HB3' ' A' ' 165' ' ' ALA . 22.4 mtt -111.84 124.09 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pp -141.64 139.92 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -177.36 159.75 26.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.511 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -121.87 179.73 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.817 0.341 . . . . 0.0 110.761 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -177.45 -156.73 16.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.643 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.42 135.96 29.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.916 0.389 . . . . 0.0 110.957 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.503 ' HA ' HG23 ' A' ' 8' ' ' ILE . 36.0 ttmt -92.35 140.85 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -81.55 125.47 30.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 10.9 mp -97.73 131.05 44.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 stop_ save_