data_5xjk_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 5xjk _Structure_validation_residue.Date_analyzed 2017-09-01 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 ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.371 . . . . 73.010000000000005 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.49 -31.23 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 111.131 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -51.91 -30.51 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 70.530000000000001 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.09 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.030000000000001 111.09 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.45 -38.2 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.77 -31.54 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.310000000000002 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -30.64 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.150000000000006 110.892 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -47.57 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.109999999999999 110.942 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.855 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.922 0.392 . . . . 74.219999999999999 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -76.25 -21.09 56.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 110.893 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.47 -32.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.26 -30.68 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.4 -26.67 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.42 -31.53 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.06 -35.41 78.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -29.18 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.519999999999996 110.823 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.15 -34.55 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.863 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.349999999999994 110.904 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.779 0.323 . . . . 75.129999999999995 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.7 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 60.329999999999998 111.048 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -70.2 -31.34 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.140000000000001 110.902 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.18 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.109 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.41 -23.13 68.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.682 -0.771 . . . . 73.230000000000004 112.486 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.38 -44.13 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 55.009999999999998 110.877 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.55 -26.35 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.925 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -28.19 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.530000000000001 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.1 -30.34 71.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.34 -27.75 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.209999999999994 110.913 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 60.450000000000003 112.534 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 61.340000000000003 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.35 -45.58 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -61.29 -31.76 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.84 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.209999999999994 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.92 -45.29 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 p -53.87 -29.7 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 75.540000000000006 111.125 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -62.71 -28.23 69.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 75.400000000000006 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -54.67 -28.53 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 71.400000000000006 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.5 ttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.878 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.9 0.381 . . . . 72.450000000000003 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -78.03 -30.06 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.93 -44.92 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 74.109999999999999 111.123 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -56.11 -27.73 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.409999999999997 110.862 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -87.5 -30.79 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 70.319999999999993 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.16 -18.95 60.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.913 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.71 -16.15 62.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -54.78 -26.59 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.888 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -57.89 -27.48 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.230000000000004 110.92 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.887 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 73.420000000000002 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.95 68.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 74.430000000000007 111.114 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.78 -32.6 14.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 70.530000000000001 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.0 -18.84 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.88 -14.97 64.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 64.519999999999996 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.71 -30.24 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 74.439999999999998 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -54.03 -27.91 35.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 110.873 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -31.46 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 75.120000000000005 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -66.68 -34.81 78.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 64.150000000000006 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -74.09 -40.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.924 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 65.409999999999997 112.523 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.919 0.39 . . . . 74.040000000000006 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.6 t -50.41 -32.38 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 64.530000000000001 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -55.7 -36.71 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.420000000000002 110.925 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.39 26.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.79 -29.39 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.46 -29.18 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 72.439999999999998 111.129 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.99 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.209999999999994 110.951 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -54.58 -27.44 38.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.040000000000006 110.94 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.862 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.9 0.381 . . . . 64.010000000000005 110.823 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -52.05 -30.29 24.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.84 -30.09 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.08 -30.63 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.35 -54.68 28.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 70.530000000000001 110.81 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -38.79 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 72.310000000000002 110.915 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.43 -31.23 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 64.319999999999993 110.886 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.92 -46.7 86.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -58.39 -29.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.519999999999996 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.895 179.9 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 72.420000000000002 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -27.26 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -53.5 -28.66 32.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.67 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.230000000000004 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.16 -23.79 48.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 61.140000000000001 112.507 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.0 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 74.519999999999996 110.841 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.01 -37.42 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.230000000000004 110.869 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -65.34 -45.7 83.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.430000000000007 110.948 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -59.8 -28.05 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.922 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -93.6 16.19 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.915 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.219999999999999 112.477 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.917 0.389 . . . . 62.32 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -50.39 -34.05 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 111.107 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.94 -38.29 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.349999999999994 110.888 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.26 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 61.140000000000001 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -55.27 -26.44 40.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.7 m -52.89 -28.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 111.174 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.01 -45.76 66.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 75.319999999999993 110.89 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -54.79 -36.53 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.439999999999998 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 110.862 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 70.510000000000005 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -55.66 -30.6 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.409999999999997 110.876 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 pt -80.52 -25.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 71.340000000000003 111.124 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.44 -26.27 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.329999999999998 110.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.21 -26.66 40.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.12 -25.48 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.76 -21.9 56.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 65.349999999999994 110.933 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.12 -23.93 50.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 74.5 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -73.53 -20.98 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 75.120000000000005 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 110.905 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 74.030000000000001 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.25 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 71.040000000000006 111.128 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.98 -29.95 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.38 -53.52 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.310000000000002 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.14 -19.69 68.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 72.519999999999996 112.504 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.43 -28.25 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 75.540000000000006 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.9 ttm -83.51 -26.98 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.349999999999994 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.34 -31.74 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.430000000000007 110.94 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -51.96 -31.97 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.099999999999994 110.971 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.86 -40.17 75.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 110.937 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 44.409999999999997 112.499 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.922 0.391 . . . . 71.430000000000007 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -50.47 -31.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.530000000000001 111.1 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.09 -29.01 28.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -28.23 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 73.439999999999998 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.55 -32.13 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -55.68 -58.49 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -52.22 -33.75 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 110.864 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.84 -38.95 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 75.439999999999998 110.904 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.89 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.908 0.385 . . . . 73.239999999999995 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -71.86 -23.01 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 tt -52.03 -29.36 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.150000000000006 111.137 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.16 -28.38 52.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.16 -17.29 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.349999999999994 110.899 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.92 -19.02 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 75.329999999999998 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -60.47 -18.62 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -73.82 -47.56 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.51 -24.13 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tptm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 70.400000000000006 110.914 179.869 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.797 0.332 . . . . 75.409999999999997 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.57 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.420000000000002 111.102 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.25 -26.62 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.844 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.4 -29.72 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.230000000000004 111.068 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.43 -34.26 57.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 74.040000000000006 112.475 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.27 -28.57 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 74.25 110.871 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 ttt -75.28 -28.59 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 70.450000000000003 110.833 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -69.92 -45.76 66.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.340000000000003 110.93 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -71.75 -29.34 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -68.55 -27.08 65.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 60.229999999999997 110.94 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 64.129999999999995 112.485 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.358 . . . . 72.209999999999994 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.37 -35.05 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -32.49 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.08 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 111.116 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -53.51 -54.44 37.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 72.409999999999997 110.936 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -82.04 -29.3 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 75.030000000000001 111.106 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -26.03 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -54.83 -26.93 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.934 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mmm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.896 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 75.209999999999994 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.89 -29.74 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.200000000000003 110.884 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.8 tt -56.6 -29.68 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 63.119999999999997 111.091 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.16 -45.57 92.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.239999999999995 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -37.63 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.93 -33.4 70.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.03 -33.1 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -55.95 -46.7 78.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 110.844 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.5 -23.53 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.903 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 75.129999999999995 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.24 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 111.075 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.71 -42.48 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 72.530000000000001 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.55 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.150000000000006 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.52 -16.39 50.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 65.25 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -16.77 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.310000000000002 110.898 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 84.8 mtp -61.78 -16.66 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 60.409999999999997 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -17.32 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 74.409999999999997 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.65 -11.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 63.520000000000003 110.915 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.14 -26.12 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.937 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 72.430000000000007 112.524 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.891 0.377 . . . . 74.519999999999996 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -50.36 -32.46 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.84 -31.39 38.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.129999999999995 110.859 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.2 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 111.102 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -52.16 -30.59 27.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.48 -22.0 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 75.219999999999999 111.107 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.14 -15.8 57.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -22.68 21.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.510000000000005 110.937 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 110.9 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 63.310000000000002 110.79 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.82 -26.44 49.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.310000000000002 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 pt -52.86 -28.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 65.450000000000003 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.06 -30.41 25.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 110.906 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.92 -28.54 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 65.310000000000002 110.865 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.9 -30.43 44.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 tt -69.51 -32.08 70.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.929 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.67 -26.7 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.510000000000005 110.838 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -87.74 -26.24 23.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 70.109999999999999 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.86 0.362 . . . . 74.219999999999999 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.77 -30.18 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.329999999999998 111.14 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -58.38 -35.22 71.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.239999999999995 110.883 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.82 -25.2 60.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 111.161 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.0 45.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 43.049999999999997 112.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.39 -34.16 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 72.439999999999998 110.88 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -68.09 -42.57 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.299999999999997 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.61 -26.08 65.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.530000000000001 110.891 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -53.12 -29.58 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 110.921 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.36 -46.33 90.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 75.540000000000006 110.912 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 54.399999999999999 112.492 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.955 0.407 . . . . 72.040000000000006 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -50.37 -58.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 111.12 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -56.05 -27.16 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.349999999999994 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -24.83 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.549999999999997 111.083 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -51.6 -30.57 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 73.510000000000005 110.928 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.81 -30.1 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -57.38 -25.88 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.891 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -54.64 -27.17 37.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.420000000000002 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.916 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.961 0.41 . . . . 74.230000000000004 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.28 -38.93 85.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 75.349999999999994 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -83.23 -25.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.45 -14.63 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 74.299999999999997 110.838 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -50.79 -55.19 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.92 -12.56 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 110.958 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -80.87 -20.54 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.903 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.86 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.6 -26.37 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.863 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.84 0.352 . . . . 75.329999999999998 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.54 -26.9 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 111.102 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.84 -37.13 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 61.009999999999998 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.53 -30.67 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 73.219999999999999 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.62 99.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 63.399999999999999 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.93 -34.88 78.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 65.200000000000003 110.909 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttm -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 74.340000000000003 110.88 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -78.64 -35.39 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -66.83 -49.18 66.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -77.03 -38.79 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 110.928 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 73.409999999999997 112.499 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.43 -31.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 74.299999999999997 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -25.14 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 74.540000000000006 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.65 -31.74 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.010000000000005 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.9 m -52.02 -29.94 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.530000000000001 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -55.11 -26.77 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 63.509999999999998 110.897 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -54.84 -46.33 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.894 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.120000000000005 110.864 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.856 0.36 . . . . 71.439999999999998 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.68 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.230000000000004 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 tp -52.51 -29.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 111.127 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.3 -31.67 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.34 -44.73 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 72.549999999999997 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.49 -29.81 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -42.25 90.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -57.92 -27.98 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.902 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -92.89 -34.19 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.409999999999997 110.879 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.88 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.868 0.366 . . . . 75.120000000000005 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -26.77 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.120000000000005 111.103 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.09 -27.91 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.109999999999999 110.848 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.14 -25.36 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.39 64.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 61.210000000000001 112.514 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -61.96 -33.16 73.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 64.510000000000005 110.874 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtt -77.7 -32.66 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.540000000000006 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -28.23 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -59.45 -39.6 84.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.539999999999999 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -65.46 -41.21 93.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.453 . . . . 75.209999999999994 110.902 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 75.239999999999995 112.498 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.896 0.379 . . . . 75.120000000000005 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.5 -30.31 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -51.64 -30.59 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.46 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.088 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.81 -32.02 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.902 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.68 -27.63 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 111.127 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -68.11 -26.53 65.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.040000000000006 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -54.97 -30.23 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.927 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 63.240000000000002 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.46 -27.92 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.87 -29.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.092 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -85.64 -17.58 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 110.898 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -57.61 -23.31 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 110.873 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.78 -19.03 58.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.73 -16.29 60.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -58.55 -22.17 54.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.39 -12.58 59.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.921 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.942 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 74.349999999999994 110.941 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 111.12 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.17 -30.1 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.878 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.18 -28.12 38.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.510000000000005 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.47 -22.42 56.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.109999999999999 112.484 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.88 -26.38 58.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 75.129999999999995 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -52.6 -33.2 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.858 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -54.63 -29.6 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.98 -42.34 98.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 74.510000000000005 110.95 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -52.25 -30.01 25.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.946 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.439999999999998 112.508 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.916 0.388 . . . . 75.310000000000002 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.41 -31.44 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.409999999999997 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.53 -38.43 63.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 72.230000000000004 110.884 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.42 60.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 75.150000000000006 111.12 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.5 -26.22 41.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -53.05 -30.71 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 71.540000000000006 111.14 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -32.42 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.530000000000001 110.876 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.87 -34.03 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.420000000000002 110.877 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 73.200000000000003 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -72.09 -27.69 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 64.530000000000001 110.915 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.83 -31.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 73.430000000000007 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.36 -35.58 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.27 -26.41 38.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -26.14 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 71.530000000000001 110.939 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.01 -25.3 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 63.520000000000003 110.922 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.59 -26.02 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -29.54 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.129999999999995 110.914 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.853 0.359 . . . . 75.439999999999998 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.05 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 111.094 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.18 -32.92 74.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.33 36.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 52.439999999999998 111.1 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.14 -26.03 48.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 60.149999999999999 112.522 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.34 -29.87 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 73.409999999999997 110.909 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -57.5 -30.21 64.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.846 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -57.19 -43.99 83.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.03 -55.07 39.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 70.420000000000002 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.38 -26.29 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.420000000000002 110.908 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 74.519999999999996 112.49 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.874 0.368 . . . . 73.510000000000005 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 p -50.57 -30.42 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.329999999999998 111.136 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.33 -30.89 52.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.200000000000003 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.99 -20.93 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 111.109 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.03 -21.9 50.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.894 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.0 m -51.42 -30.03 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.125 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -33.32 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 110.954 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -55.05 -36.68 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.349999999999994 110.87 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.924 0.392 . . . . 73.329999999999998 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -52.33 -29.62 24.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 73.25 110.886 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.58 -30.09 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 111.165 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -52.91 -30.17 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.25 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.39 -26.38 52.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.897 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.32 -18.87 60.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.299999999999997 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -64.31 -16.03 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -57.73 -23.03 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.906 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.24 -20.07 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 70.540000000000006 110.878 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.936 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.789 0.328 . . . . 75.420000000000002 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.1 60.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.230000000000004 111.135 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.89 -26.8 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 64.310000000000002 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.43 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.097 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.36 -24.7 52.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 53.310000000000002 112.495 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.86 -26.74 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 73.120000000000005 110.905 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.7 ptm -52.52 -30.88 32.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.827 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -52.12 -34.81 46.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 74.019999999999996 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.63 -42.14 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 64.040000000000006 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.927 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 71.409999999999997 112.481 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.87 0.367 . . . . 52.009999999999998 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.43 -32.03 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 111.091 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.22 -29.97 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.140000000000001 110.874 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.24 36.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 64.430000000000007 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.12 -29.06 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.019999999999996 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.1 m -52.64 -28.97 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 111.149 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -55.88 -26.91 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.934 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.71 -27.22 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.439999999999998 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 110.906 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.915 0.388 . . . . 52.5 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.23 -28.09 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 75.219999999999999 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.91 -48.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.150000000000006 111.128 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.69 -15.56 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -85.63 -35.18 21.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.519999999999996 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.93 -29.41 42.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.299999999999997 110.897 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.28 -30.9 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.896 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -71.28 -40.94 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -47.83 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 75.040000000000006 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 70.140000000000001 110.911 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.351 . . . . 73.200000000000003 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.97 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.099 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.71 -39.26 70.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.49 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.140000000000001 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.1 30.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 71.209999999999994 112.501 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.51 -30.66 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 65.209999999999994 110.876 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.07 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.01 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.23 -26.39 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.15 -33.45 40.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 63.119999999999997 110.937 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 71.439999999999998 112.495 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.93 0.395 . . . . 71.549999999999997 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.6 -30.94 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.140000000000001 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -54.11 -30.65 49.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.51 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -53.44 -32.79 51.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 110.883 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.32 -30.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 111.138 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -65.41 -28.37 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 61.32 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.86 -27.56 43.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.886 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.884 0.374 . . . . 75.25 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -70.96 -26.4 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -52.7 -31.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -55.19 -26.44 39.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.540000000000006 110.875 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.68 -20.99 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 63.219999999999999 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.99 -18.83 59.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.549999999999997 110.933 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.72 -16.01 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.893 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -20.3 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 65.019999999999996 110.855 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -85.7 2.95 43.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 65.5 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 75.349999999999994 110.879 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.791 0.329 . . . . 64.109999999999999 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.22 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 62.439999999999998 111.102 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -27.98 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.5 -32.57 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.158 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.13 -28.79 55.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 72.310000000000002 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.78 -26.85 67.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 65.420000000000002 110.892 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.2 tpp -56.0 -26.34 48.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.928 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -65.79 -18.78 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -6.04 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.914 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -51.83 -30.28 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.943 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 71.430000000000007 112.48 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.899 0.38 . . . . 72.25 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.43 -31.45 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 63.240000000000002 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.44 -42.75 83.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 72.129999999999995 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.84 -29.02 61.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 65.230000000000004 111.05 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.05 -28.01 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.81 -36.66 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 71.129999999999995 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -75.81 -33.08 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.099999999999994 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -54.81 -34.99 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.3 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 110.883 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.885 0.374 . . . . 53.310000000000002 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.57 -30.37 52.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 pt -56.24 -25.14 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 111.151 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.3 -30.49 64.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 72.239999999999995 110.925 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -34.57 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.230000000000004 110.891 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -42.03 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mp -55.63 -41.64 73.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.948 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -80.11 -30.95 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 74.120000000000005 110.865 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -65.61 -26.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.530000000000001 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.86 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.823 0.344 . . . . 71.430000000000007 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -27.5 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.104 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.46 -26.47 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 70.219999999999999 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.24 -35.46 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 65.319999999999993 111.068 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.15 -31.87 56.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 74.239999999999995 112.455 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.72 -26.53 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 73.450000000000003 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -52.16 -31.2 30.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.340000000000003 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -60.85 -36.97 80.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.28 -26.74 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 65.200000000000003 110.926 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -53.81 -34.27 58.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 110.947 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 75.430000000000007 112.5 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.878 0.37 . . . . 74.120000000000005 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.4 -37.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 111.154 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -52.1 -32.73 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.340000000000003 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.82 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 64.439999999999998 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -52.15 -30.33 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.84 -61.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 111.112 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -71.81 -31.78 66.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 110.875 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -54.89 -29.04 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 53.299999999999997 110.928 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.230000000000004 110.859 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.879 0.371 . . . . 75.030000000000001 110.839 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -75.68 -30.22 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 74.209999999999994 110.849 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 pt -58.56 -24.11 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.329999999999998 111.152 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.37 -21.79 60.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.319999999999993 110.863 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.26 -17.26 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.099999999999994 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.24 -18.76 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.37 -18.0 56.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 75.349999999999994 110.929 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -17.9 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.837 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -102.2 -20.45 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 tttp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.863 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.91 64.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 111.07 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.59 -27.21 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 60.420000000000002 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -33.5 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.530000000000001 111.092 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.01 -22.04 74.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 74.019999999999996 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.26 -26.99 61.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.364 . . . . 74.239999999999995 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 tpt -78.05 -35.51 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -76.25 -26.25 55.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -54.63 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -66.62 -38.24 86.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 110.917 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.530000000000001 112.522 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.92 0.39 . . . . 75.540000000000006 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.35 -31.74 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.219999999999999 111.112 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.46 -34.43 57.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.865 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.21 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -55.11 -31.32 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.239999999999995 110.921 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 t -66.13 -35.03 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.35 -30.51 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 110.879 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.71 -27.64 42.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.530000000000001 110.865 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 54.119999999999997 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -75.19 -26.57 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.400000000000006 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 pp -51.84 -30.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 74.019999999999996 111.095 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.34 -37.6 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.71 -26.93 44.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.865 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.47 -40.61 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.909 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.53 -28.74 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.95 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -80.4 -30.96 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -57.05 -28.33 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.540000000000006 110.932 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 110.924 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 tt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.787 0.327 . . . . 74.430000000000007 110.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.7 -31.62 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 71.219999999999999 111.157 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.94 -33.78 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.409999999999997 110.838 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.86 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 -20.93 60.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 61.229999999999997 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -64.31 -29.3 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 73.510000000000005 110.86 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -54.56 -27.29 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 110.886 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -53.27 -31.8 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 74.409999999999997 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -55.07 -44.07 74.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.876 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.24 -29.84 70.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 74.540000000000006 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.239999999999995 112.504 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 71.209999999999994 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.4 -31.0 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.549999999999997 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.450000000000003 110.896 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 -30.68 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 74.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -60.41 -42.6 96.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 110.883 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.9 m -59.35 -25.0 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.16 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.61 -25.88 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.209999999999994 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -54.61 -27.28 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 62.149999999999999 110.847 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.7 mtm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.450000000000003 110.911 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.886 0.374 . . . . 74.219999999999999 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -69.83 -25.31 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.219999999999999 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.15 -27.19 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.519999999999996 111.106 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.92 -26.29 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.040000000000006 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.0 -56.74 12.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.28 -18.61 57.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.450000000000003 110.944 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.3 tp -86.59 -9.8 55.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.109999999999999 110.961 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.65 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.83 -73.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.200000000000003 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.333 . . . . 74.439999999999998 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.71 63.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 65.150000000000006 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -96.71 -26.52 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -18.74 60.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 111.078 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.58 -14.89 63.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 62.539999999999999 112.505 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -54.7 -26.32 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.239999999999995 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -28.84 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 75.409999999999997 110.875 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -54.72 -31.1 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.83 -27.51 68.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -52.12 -38.74 58.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.92 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 70.109999999999999 112.508 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.929 0.395 . . . . 74.200000000000003 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.34 -32.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 72.340000000000003 111.143 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.0 -30.4 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.010000000000005 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.37 -37.73 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 111.125 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.44 -53.15 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.040000000000006 110.926 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.03 -28.44 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 73.319999999999993 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -59.37 -46.4 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -54.92 -33.08 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.893 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.450000000000003 110.861 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 74.310000000000002 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -78.16 -32.28 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 75.409999999999997 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.6 -27.05 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 111.094 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.11 -26.5 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.349999999999994 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.78 -29.56 28.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -40.05 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.420000000000002 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.28 -26.0 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.549999999999997 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.56 -26.67 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.549999999999997 110.85 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.04 2.91 55.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 70.409999999999997 110.875 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 75.239999999999995 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -29.54 24.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 71.530000000000001 111.111 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.8 -39.81 71.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.914 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 -27.91 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 111.101 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.46 -29.89 32.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.409999999999997 112.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.51 -31.23 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 72.319999999999993 110.863 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -75.77 -34.67 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.120000000000005 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.540000000000006 110.939 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -54.27 -42.26 69.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 65.540000000000006 110.944 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -53.5 -38.98 64.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.239999999999995 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 74.439999999999998 112.546 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.901 0.381 . . . . 74.019999999999996 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.41 -33.86 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 111.095 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -53.66 -34.92 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.109999999999999 110.898 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -24.09 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 61.409999999999997 111.052 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.48 -23.62 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.8 p -54.15 -32.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.14 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -22.73 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.47 -40.47 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 tpp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 75.299999999999997 110.86 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.95 0.405 . . . . 74.430000000000007 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -26.96 49.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.25 110.864 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 pt -55.08 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.25 111.14 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.16 -30.7 66.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 73.530000000000001 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.83 -56.64 18.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 73.019999999999996 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.75 -26.48 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.904 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.63 -44.37 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 110.911 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.56 -37.04 73.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.901 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.25 -27.51 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.120000000000005 110.884 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.892 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.791 0.329 . . . . 75.230000000000004 110.889 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.79 -39.55 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.450000000000003 111.059 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.17 -26.26 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 110.883 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.82 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.16 -14.95 62.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 73.400000000000006 112.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -55.33 -25.82 36.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 72.400000000000006 110.844 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.74 -29.54 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 110.887 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -53.7 -30.4 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.53 -42.8 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.919 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 72.439999999999998 112.479 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.165 0 CA-C-O 120.791 0.246 . . . . 73.329999999999998 112.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.19 109.95 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -96.45 29.35 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.019999999999996 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -79.02 -30.43 44.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.019999999999996 111.146 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -73.11 -13.35 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 73.209999999999994 110.851 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -73.96 -7.55 52.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.010000000000005 110.858 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.49 -31.23 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.439999999999998 111.131 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -51.91 -30.51 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 70.530000000000001 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.09 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.030000000000001 111.09 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.45 -38.2 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.77 -31.54 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.310000000000002 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -30.64 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 71.150000000000006 110.892 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -47.57 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.109999999999999 110.942 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.2 mtp 55.58 26.15 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 52.34 76.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.019999999999996 110.929 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -58.81 87.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.150000000000006 110.941 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.642 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 10.0 t -140.27 42.08 0.48 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.707 . . . . 74.200000000000003 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.8 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.701 2.267 . . . . 72.5 112.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.35 153.13 42.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 73.120000000000005 111.107 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 82.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 110.925 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -90.7 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.842 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -88.67 -52.81 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.450000000000003 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -127.54 -50.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 75.540000000000006 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.41 -118.45 5.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.722 -0.751 . . . . 73.5 112.486 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.06 70.49 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 63.439999999999998 112.479 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -110.07 127.13 54.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 74.299999999999997 110.903 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -126.12 166.53 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.020000000000003 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -72.68 -28.24 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.400000000000006 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -83.53 1.54 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.310000000000002 110.863 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.03 -26.13 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 75.109999999999999 110.904 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.51 24.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.329999999999998 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.69 159.17 33.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 73.519999999999996 110.877 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.25 35.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 75.540000000000006 112.33 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -168.65 68.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.692 0.758 . . . . 74.140000000000001 110.898 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.88 63.97 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.705 2.27 . . . . 74.439999999999998 112.342 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 0.0 OUTLIER -171.15 155.7 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 74.420000000000002 110.881 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.96 73.31 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 75.140000000000001 110.92 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 62.399999999999999 112.355 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 t -85.77 -25.67 26.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 64.200000000000003 111.141 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.82 -38.59 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.319999999999993 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -58.78 -30.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.450000000000003 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 m -91.21 46.9 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.219999999999999 110.841 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -76.25 -21.09 56.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 110.893 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.47 -32.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 72.439999999999998 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.26 -30.68 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.4 -26.67 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.42 -31.53 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 75.420000000000002 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.06 -35.41 78.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.209999999999994 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -29.18 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.519999999999996 110.823 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.15 -34.55 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.863 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -64.34 -44.91 90.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.349999999999994 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -125.27 70.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.111 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 -56.98 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 74.120000000000005 111.195 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mp -100.17 4.06 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 75.129999999999995 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.7 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 60.329999999999998 111.048 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -70.2 -31.34 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.140000000000001 110.902 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.18 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.109 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.41 -23.13 68.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.682 -0.771 . . . . 73.230000000000004 112.486 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.38 -44.13 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 55.009999999999998 110.877 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.55 -26.35 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.925 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -28.19 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.530000000000001 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.1 -30.34 71.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.34 -27.75 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.209999999999994 110.913 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.5 -28.45 28.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 60.450000000000003 112.534 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 73.530000000000001 110.908 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.782 0.243 . . . . 73.519999999999996 112.322 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -132.45 45.2 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.03 -51.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.319999999999993 110.892 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -25.31 66.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 73.549999999999997 111.145 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -52.03 -34.99 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.340000000000003 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.31 -42.6 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 61.340000000000003 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.35 -45.58 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -61.29 -31.76 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.898 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.84 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.209999999999994 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.92 -45.29 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 p -53.87 -29.7 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 75.540000000000006 111.125 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -62.71 -28.23 69.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 75.400000000000006 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -54.67 -28.53 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 71.400000000000006 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.5 ttp -72.32 85.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.040000000000006 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -129.75 82.35 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 75.310000000000002 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -58.85 87.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.510000000000005 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.516 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.74 -58.46 9.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.711 . . . . 75.349999999999994 111.096 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.75 169.13 19.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 74.129999999999995 112.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.38 141.8 29.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 111.146 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.18 98.97 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 63.039999999999999 110.94 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -86.63 -26.77 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 110.919 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.42 -27.58 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 72.120000000000005 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.01 31.38 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 75.409999999999997 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.67 154.1 21.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.719 . . . . 52.229999999999997 112.498 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.39 131.41 10.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 54.119999999999997 112.498 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -100.85 169.56 8.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 73.219999999999999 110.877 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.95 119.85 21.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 73.319999999999993 110.912 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -66.49 -25.64 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 110.881 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -79.07 -30.23 43.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.140000000000001 110.816 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.65 -21.99 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.310000000000002 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.1 pt -100.34 24.55 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.549999999999997 111.069 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.37 154.93 74.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 72.239999999999995 110.89 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 106.31 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 75.219999999999999 112.347 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -124.81 70.36 58.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 72.099999999999994 110.851 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.23 9.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 70.430000000000007 112.358 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.89 175.57 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.409999999999997 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -106.33 160.67 25.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.531 0.681 . . . . 75.400000000000006 110.952 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 127.16 14.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.714 2.276 . . . . 73.510000000000005 112.353 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -81.17 -25.63 36.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 74.329999999999998 111.128 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -56.88 -24.29 50.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.219999999999999 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.58 -37.91 76.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.858 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -65.46 93.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -78.03 -30.06 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.93 -44.92 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 74.109999999999999 111.123 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -56.11 -27.73 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 75.409999999999997 110.862 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -87.5 -30.79 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 70.319999999999993 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.16 -18.95 60.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 75.340000000000003 110.913 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.71 -16.15 62.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -54.78 -26.59 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 110.888 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -57.89 -27.48 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.230000000000004 110.92 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.62 36.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.887 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 p -101.12 23.86 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 73.409999999999997 111.104 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -76.95 -28.72 55.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 42.109999999999999 111.117 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.63 -29.29 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 73.420000000000002 110.87 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.95 68.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 74.430000000000007 111.114 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.78 -32.6 14.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 70.530000000000001 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.0 -18.84 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.88 -14.97 64.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 64.519999999999996 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.71 -30.24 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 74.439999999999998 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -54.03 -27.91 35.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 110.873 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -31.46 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 75.120000000000005 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -66.68 -34.81 78.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 64.150000000000006 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -74.09 -40.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.340000000000003 110.924 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.5 141.81 10.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 65.409999999999997 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 73.219999999999999 110.892 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.754 0.231 . . . . 74.340000000000003 112.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 61.84 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 110.868 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -113.22 -35.72 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 71.030000000000001 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -56.17 -31.32 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.409999999999997 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -61.12 -26.37 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.73 63.44 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.040000000000006 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.6 t -50.41 -32.38 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 64.530000000000001 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -55.7 -36.71 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.420000000000002 110.925 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.39 26.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.409999999999997 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.79 -29.39 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.030000000000001 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.46 -29.18 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 72.439999999999998 111.129 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.99 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 72.209999999999994 110.951 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -54.58 -27.44 38.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.040000000000006 110.94 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -52.5 -44.26 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.209999999999994 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -109.69 72.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 110.912 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -55.2 -25.38 32.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.400000000000006 110.926 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.617 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER 65.08 42.58 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.519 0.676 . . . . 74.530000000000001 111.143 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.1 Cg_endo -69.84 133.94 26.61 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 74.519999999999996 112.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -109.14 74.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 74.319999999999993 111.134 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.16 95.91 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.310000000000002 110.967 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 72.099999999999994 110.929 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -53.02 -30.2 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.66 27.23 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.06 -151.13 6.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 73.329999999999998 112.512 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 122.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.745 . . . . 73.349999999999994 112.485 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -118.31 122.26 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 75.230000000000004 110.851 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -123.54 33.54 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 73.400000000000006 110.848 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.0 -26.68 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 110.935 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -52.84 -37.23 59.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 71.200000000000003 110.85 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -54.27 -39.41 66.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.450000000000003 110.834 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.7 mm -99.16 24.42 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 70.409999999999997 111.143 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.49 71.58 71.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 72.430000000000007 110.952 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 176.17 7.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 74.129999999999995 112.342 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -155.82 69.15 5.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 72.530000000000001 110.888 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.68 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 65.219999999999999 112.339 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -124.54 102.12 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 75.329999999999998 110.912 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -139.95 68.56 35.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 73.129999999999995 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.244 . . . . 64.219999999999999 112.356 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -25.63 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 111.129 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.15 -27.65 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.319999999999993 110.844 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -100.69 7.45 43.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.89 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t -70.78 -25.75 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 64.010000000000005 110.823 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -52.05 -30.29 24.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.84 -30.09 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.319999999999993 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.08 -30.63 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.35 -54.68 28.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 70.530000000000001 110.81 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.94 -38.79 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 72.310000000000002 110.915 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.43 -31.23 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 64.319999999999993 110.886 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.92 -46.7 86.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.329999999999998 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -58.39 -29.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.519999999999996 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -55.94 -26.49 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 75.239999999999995 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.34 -35.38 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 73.150000000000006 111.137 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 p -60.2 -40.4 89.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 62.240000000000002 111.17 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 pp -54.92 -26.8 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 72.420000000000002 110.878 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -27.26 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.310000000000002 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -53.5 -28.66 32.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.67 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.230000000000004 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.16 -23.79 48.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 61.140000000000001 112.507 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.0 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 74.519999999999996 110.841 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.01 -37.42 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 75.230000000000004 110.869 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -65.34 -45.7 83.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.430000000000007 110.948 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -59.8 -28.05 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.922 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -93.6 16.19 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.420000000000002 110.915 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.92 109.48 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.219999999999999 112.477 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 72.409999999999997 110.905 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.794 0.248 . . . . 71.150000000000006 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.29 -72.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.120000000000005 110.878 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -80.29 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 71.109999999999999 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 m -72.04 -46.37 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 64.400000000000006 111.127 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -52.76 -29.83 29.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.882 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 39.41 41.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.927 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -50.39 -34.05 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.430000000000007 111.107 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -70.94 -38.29 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.349999999999994 110.888 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.26 -25.26 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 61.140000000000001 111.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -55.27 -26.44 40.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.7 m -52.89 -28.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 111.174 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.01 -45.76 66.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 75.319999999999993 110.89 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -54.79 -36.53 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.439999999999998 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 tpt -53.75 148.27 10.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -96.66 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.519999999999996 110.899 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -58.8 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 110.923 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.3 m -139.27 42.11 0.52 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 72.120000000000005 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.1 Cg_endo -69.73 82.2 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 70.340000000000003 112.352 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -141.3 138.74 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 75.219999999999999 111.152 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 tp -127.25 81.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -88.13 8.82 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 75.349999999999994 110.889 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.49 -26.26 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 72.129999999999995 110.946 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -71.55 -31.19 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 74.540000000000006 110.868 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.1 6.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 73.510000000000005 112.482 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.76 41.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 64.549999999999997 112.556 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -101.41 141.16 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 74.140000000000001 110.9 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -124.58 80.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -65.04 -25.17 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 72.230000000000004 110.887 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 m -75.22 -23.11 57.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 72.040000000000006 110.853 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -55.62 -31.39 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.430000000000007 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.1 tt -94.79 23.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.239999999999995 111.084 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -125.02 73.52 65.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 75.400000000000006 110.922 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 176.58 6.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.271 . . . . 53.409999999999997 112.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -174.67 73.17 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.697 0.761 . . . . 65.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.43 62.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 72.319999999999993 112.351 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -170.91 88.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.420000000000002 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -156.35 72.15 5.0 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 72.209999999999994 110.874 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 85.69 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.647 2.231 . . . . 53.530000000000001 112.311 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p -86.0 2.01 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 61.539999999999999 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -62.58 -26.59 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.340000000000003 110.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -88.17 7.43 31.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 73.109999999999999 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -92.43 -27.61 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 70.510000000000005 110.879 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -55.66 -30.6 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.409999999999997 110.876 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.9 pt -80.52 -25.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 71.340000000000003 111.124 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.44 -26.27 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 75.329999999999998 110.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.21 -26.66 40.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 74.540000000000006 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.12 -25.48 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 110.91 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.76 -21.9 56.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 65.349999999999994 110.933 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.12 -23.93 50.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 74.5 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -73.53 -20.98 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 75.120000000000005 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -94.92 37.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 73.430000000000007 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.6 m -106.67 25.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.135 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 t -83.94 -29.46 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.430000000000007 111.166 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.14 -26.07 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.25 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 71.040000000000006 111.128 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.98 -29.95 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.38 -53.52 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.310000000000002 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.14 -19.69 68.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 72.519999999999996 112.504 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.43 -28.25 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 75.540000000000006 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.9 ttm -83.51 -26.98 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.349999999999994 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.34 -31.74 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.430000000000007 110.94 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -51.96 -31.97 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 74.099999999999994 110.971 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.86 -40.17 75.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 74.150000000000006 110.937 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.6 105.81 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 44.409999999999997 112.499 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 71.430000000000007 110.881 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.781 0.242 . . . . 72.530000000000001 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -146.11 133.01 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.310000000000002 110.892 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -130.78 150.98 51.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.510000000000005 110.848 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.1 p -73.45 -25.39 60.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 73.040000000000006 111.181 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -56.41 -26.3 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 74.439999999999998 110.852 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -91.13 46.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.430000000000007 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -50.47 -31.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.530000000000001 111.1 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.09 -29.01 28.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -28.23 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 73.439999999999998 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.55 -32.13 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.219999999999999 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -55.68 -58.49 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -52.22 -33.75 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 74.409999999999997 110.864 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.84 -38.95 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 75.439999999999998 110.904 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtm -108.74 -74.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.310000000000002 110.89 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 53.16 29.2 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 75.030000000000001 110.899 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.81 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 73.219999999999999 110.915 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 41.3 p -142.41 42.08 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 72.109999999999999 111.162 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.2 Cg_endo -69.75 -173.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.645 2.23 . . . . 75.010000000000005 112.377 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.7 p 49.97 42.46 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.420000000000002 111.134 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 pp -95.46 23.93 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.409999999999997 110.914 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -21.62 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 75.540000000000006 110.854 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.32 -48.42 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 72.310000000000002 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -96.16 29.59 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.109999999999999 110.844 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.4 101.27 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 74.310000000000002 112.476 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.21 151.96 11.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 63.530000000000001 112.542 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -123.48 145.12 49.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 75.129999999999995 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.65 59.19 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.91 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -72.23 -26.09 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 74.420000000000002 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -57.46 -23.78 51.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 73.040000000000006 110.878 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.52 -19.8 58.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 62.350000000000001 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.7 tt -59.48 -30.93 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 111.158 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tp -158.3 138.89 9.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.584 0.707 . . . . 74.109999999999999 110.926 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 111.23 2.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 74.25 112.325 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -112.87 160.59 30.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 71.439999999999998 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.91 15.56 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 73.150000000000006 112.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -141.45 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.87 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -144.5 159.16 52.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 73.310000000000002 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.09 19.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 73.5 112.336 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -73.69 -30.55 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 111.121 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -65.83 -24.97 67.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.894 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.33 7.43 35.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 75.530000000000001 110.853 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 p -126.97 148.17 50.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.239999999999995 110.887 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -71.86 -23.01 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.439999999999998 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 tt -52.03 -29.36 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 70.150000000000006 111.137 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -55.16 -28.38 52.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 64.329999999999998 110.905 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.16 -17.29 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 71.349999999999994 110.899 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.92 -19.02 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 75.329999999999998 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -60.47 -18.62 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.911 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -73.82 -47.56 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.030000000000001 110.921 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.51 -24.13 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -54.24 -27.45 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 70.400000000000006 110.914 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.39 139.02 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 74.109999999999999 111.1 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -28.14 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 72.439999999999998 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -54.56 -27.28 37.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 75.409999999999997 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.57 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.420000000000002 111.102 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.25 -26.62 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.844 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.4 -29.72 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.230000000000004 111.068 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.43 -34.26 57.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 74.040000000000006 112.475 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.27 -28.57 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 74.25 110.871 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 ttt -75.28 -28.59 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 70.450000000000003 110.833 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -69.92 -45.76 66.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.340000000000003 110.93 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -71.75 -29.34 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -68.55 -27.08 65.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 60.229999999999997 110.94 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.19 120.25 6.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 64.129999999999995 112.485 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 75.200000000000003 110.933 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.753 0.231 . . . . 71.329999999999998 112.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -115.6 31.91 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 110.884 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.42 92.92 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 63.399999999999999 110.853 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -73.91 -25.79 60.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.299999999999997 111.14 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.26 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.239999999999995 110.845 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 52.14 51.13 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.209999999999994 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.37 -35.05 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 74.340000000000003 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -32.49 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.08 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 111.116 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -53.51 -54.44 37.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 72.409999999999997 110.936 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -82.04 -29.3 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 75.030000000000001 111.106 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -26.03 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.310000000000002 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -54.83 -26.93 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.934 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mmm -52.14 153.35 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -113.68 26.69 10.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 62.039999999999999 110.908 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -58.56 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 110.88 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.627 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 62.6 p -137.54 42.11 0.6 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.56 0.695 . . . . 75.219999999999999 111.116 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.3 Cg_endo -69.79 -48.22 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 75.420000000000002 112.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m 51.73 45.0 28.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 111.173 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.9 26.61 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 74.099999999999994 110.927 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -87.32 -44.83 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.939 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -56.73 -26.37 56.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -71.97 -31.51 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.853 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.85 174.62 28.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 93.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 61.210000000000001 112.492 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -122.43 173.93 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 75.349999999999994 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.76 107.4 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 110.838 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -79.91 -25.74 40.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.439999999999998 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -52.02 -33.07 36.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 73.310000000000002 110.891 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.06 -36.56 66.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 64.430000000000007 110.927 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.8 -29.22 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.230000000000004 111.124 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -124.84 68.63 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 72.319999999999993 110.936 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -178.97 2.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.661 2.241 . . . . 71.349999999999994 112.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.18 160.49 35.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 73.209999999999994 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -46.92 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 63.350000000000001 112.38 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt 52.49 44.73 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 75.129999999999995 110.906 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -155.95 70.8 5.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 74.540000000000006 110.89 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 74.450000000000003 112.368 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 p -79.82 -15.69 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.120000000000005 111.138 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -11.99 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 74.329999999999998 110.906 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -20.11 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.420000000000002 110.908 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -87.41 103.33 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.894 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.89 -29.74 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.200000000000003 110.884 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.8 tt -56.6 -29.68 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 63.119999999999997 111.091 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.16 -45.57 92.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.239999999999995 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -37.63 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 64.420000000000002 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.93 -33.4 70.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.03 -33.1 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -55.95 -46.7 78.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 73.430000000000007 110.844 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.5 -23.53 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -95.08 37.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.903 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.72 3.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 64.530000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -58.32 -22.25 52.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 72.319999999999993 111.165 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.82 -20.46 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.129999999999995 110.954 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.24 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.319999999999993 111.075 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.71 -42.48 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 72.530000000000001 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.55 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.150000000000006 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.52 -16.39 50.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 65.25 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -16.77 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.310000000000002 110.898 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 84.8 mtp -61.78 -16.66 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 60.409999999999997 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -17.32 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 74.409999999999997 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.65 -11.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 63.520000000000003 110.915 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.14 -26.12 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.937 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 169.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 72.430000000000007 112.524 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 61.009999999999998 110.884 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.82 0.258 . . . . 75.510000000000005 112.388 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 26.39 14.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 73.409999999999997 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -98.31 29.07 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 64.219999999999999 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -76.73 -25.62 53.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 74.530000000000001 111.191 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -78.01 -27.77 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -84.75 -51.42 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.519999999999996 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -50.36 -32.46 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.239999999999995 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.84 -31.39 38.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.129999999999995 110.859 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.2 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 111.102 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -52.16 -30.59 27.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.48 -22.0 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 75.219999999999999 111.107 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.14 -15.8 57.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 73.400000000000006 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -22.68 21.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.510000000000005 110.937 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -53.88 122.02 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.219999999999999 110.9 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.47 27.08 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 75.400000000000006 110.912 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -58.78 87.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 73.310000000000002 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.637 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 75.1 p -138.48 42.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 74.349999999999994 111.142 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.3 Cg_endo -69.81 87.47 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.678 2.252 . . . . 74.540000000000006 112.356 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.54 40.97 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.540000000000006 111.116 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 pp -116.42 26.67 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 74.200000000000003 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -29.29 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 110.91 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -53.64 -28.7 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 110.895 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -95.83 31.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.120000000000005 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.09 94.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.010000000000005 112.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.39 59.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 71.510000000000005 112.531 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -86.68 134.84 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 71.430000000000007 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -100.1 -27.01 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -80.11 -23.42 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 110.843 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 p -51.91 -43.79 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 70.409999999999997 110.861 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.45 -26.0 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.340000000000003 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 mt -96.16 24.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 74.219999999999999 111.141 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.05 73.32 78.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 75.420000000000002 110.956 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.11 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 72.150000000000006 112.405 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m 54.33 70.92 1.49 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.668 0.747 . . . . 64.310000000000002 110.874 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.69 14.19 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.697 2.265 . . . . 75.150000000000006 112.382 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.1 tp -150.05 100.79 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.319999999999993 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.89 72.87 1.08 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.595 0.712 . . . . 74.299999999999997 110.959 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 152.77 69.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 73.400000000000006 112.364 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.6 t -86.07 -14.22 44.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.439999999999998 111.159 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.12 -28.43 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.906 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.67 -26.25 63.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 75.120000000000005 110.868 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -102.97 122.21 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 63.310000000000002 110.79 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.82 -26.44 49.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 72.310000000000002 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 pt -52.86 -28.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 65.450000000000003 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.06 -30.41 25.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 71.409999999999997 110.906 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.92 -28.54 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 65.310000000000002 110.865 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.9 -30.43 44.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 tt -69.51 -32.08 70.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.929 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.67 -26.7 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.510000000000005 110.838 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -87.74 -26.24 23.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 70.109999999999999 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 37.02 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.891 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 m -57.09 108.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 74.239999999999995 111.156 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -86.41 -32.82 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.519999999999996 111.183 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.02 -27.59 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.219999999999999 110.945 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.77 -30.18 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.329999999999998 111.14 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -58.38 -35.22 71.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 65.239999999999995 110.883 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.82 -25.2 60.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 72.329999999999998 111.161 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.0 45.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 43.049999999999997 112.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.39 -34.16 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 72.439999999999998 110.88 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -68.09 -42.57 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.299999999999997 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.61 -26.08 65.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 73.530000000000001 110.891 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -53.12 -29.58 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.030000000000001 110.921 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.36 -46.33 90.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 75.540000000000006 110.912 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.5 85.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 54.399999999999999 112.492 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 73.109999999999999 110.878 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.761 0.234 . . . . 74.099999999999994 112.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -101.1 104.79 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 75.549999999999997 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -107.63 110.38 22.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.319999999999993 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.0 p -73.02 -22.73 60.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 72.299999999999997 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -58.41 -25.3 61.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.400000000000006 110.885 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.43 139.38 58.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.040000000000006 110.84 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -50.37 -58.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 111.12 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -56.05 -27.16 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.349999999999994 110.869 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -24.83 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.549999999999997 111.083 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -51.6 -30.57 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 73.510000000000005 110.928 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.4 m -53.81 -30.1 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.103 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -57.38 -25.88 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.891 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -54.64 -27.17 37.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.420000000000002 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.5 ptp -52.14 136.83 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 74.099999999999994 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 -43.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 74.219999999999999 110.95 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.140000000000001 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -54.82 -58.45 14.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 65.409999999999997 111.161 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.5 Cg_endo -69.78 138.55 38.01 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 73.340000000000003 112.336 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 t -143.58 137.89 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 74.519999999999996 111.119 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.1 mt -118.41 -171.51 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 71.540000000000006 110.906 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.83 7.72 29.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.25 110.901 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -52.62 -30.46 31.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 71.209999999999994 110.943 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.05 -29.0 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.55 -151.45 17.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.479 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.39 26.39 1.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 73.129999999999995 112.505 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -80.56 164.17 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 74.340000000000003 110.907 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.09 144.54 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 64.129999999999995 110.906 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.29 -26.21 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 73.439999999999998 110.833 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.4 p -69.38 -12.61 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 110.826 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -54.72 -26.13 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 64.219999999999999 110.957 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -26.05 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 111.171 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.8 mt -114.09 73.63 2.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 62.109999999999999 110.926 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 161.27 46.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.648 2.232 . . . . 75.409999999999997 112.328 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.28 160.53 52.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 73.25 110.885 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.17 64.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.25 . . . . 72.120000000000005 112.359 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 pp -172.71 148.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 72.299999999999997 110.929 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -177.99 73.3 0.22 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.706 . . . . 73.140000000000001 110.933 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.78 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 70.129999999999995 112.352 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -57.42 -26.13 60.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.439999999999998 111.2 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -52.04 -31.93 32.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.949 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -70.51 -41.12 73.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.310000000000002 110.878 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p 52.19 29.98 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 74.230000000000004 110.885 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.28 -38.93 85.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 75.349999999999994 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -83.23 -25.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 72.319999999999993 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.45 -14.63 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 74.299999999999997 110.838 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -50.79 -55.19 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' H ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.92 -12.56 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 110.958 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 tp -80.87 -20.54 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 71.430000000000007 110.903 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.86 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.6 -26.37 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.209999999999994 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -96.06 27.74 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 110.863 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.1 -26.34 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 75.209999999999994 111.155 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -38.34 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.430000000000007 111.107 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.7 -34.79 78.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 75.329999999999998 110.903 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.54 -26.9 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 111.102 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.84 -37.13 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 61.009999999999998 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.53 -30.67 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 73.219999999999999 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.62 99.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 63.399999999999999 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.93 -34.88 78.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 65.200000000000003 110.909 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttm -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 74.340000000000003 110.88 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -78.64 -35.39 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 75.310000000000002 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -66.83 -49.18 66.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -77.03 -38.79 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.340000000000003 110.928 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.33 135.46 2.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 73.409999999999997 112.499 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.834 -179.832 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.774 0.239 . . . . 61.109999999999999 112.326 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.48 85.87 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 73.349999999999994 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -122.51 32.63 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.120000000000005 110.908 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.8 t -60.85 -25.96 67.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.150000000000006 111.133 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -26.13 44.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.08 -31.31 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 75.319999999999993 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.43 -31.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 74.299999999999997 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 75.409999999999997 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -25.14 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 74.540000000000006 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.65 -31.74 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.010000000000005 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.9 m -52.02 -29.94 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.530000000000001 111.11 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -55.11 -26.77 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 63.509999999999998 110.897 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -54.84 -46.33 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 73.400000000000006 110.894 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.1 mtm 55.22 58.07 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.120000000000005 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -100.9 26.56 6.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.209999999999994 110.895 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -58.81 87.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 72.040000000000006 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.644 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.8 t -138.3 42.12 0.57 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 74.239999999999995 111.122 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.74 80.96 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 70.510000000000005 112.356 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -144.96 152.74 40.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.120000000000005 111.115 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 mt -144.66 110.06 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.897 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -82.84 -27.53 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 75.140000000000001 110.902 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.64 -26.71 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -109.12 32.07 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.349999999999994 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.17 156.92 21.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 70.340000000000003 112.506 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.0 97.42 2.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 74.420000000000002 112.489 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -111.31 148.34 33.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 74.340000000000003 110.916 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -144.28 83.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.420000000000002 110.907 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -80.27 -26.62 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.010000000000005 110.868 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 t -84.43 -19.95 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 73.200000000000003 110.848 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -24.06 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 61.520000000000003 110.944 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.56 -24.05 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 111.146 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.3 mt -134.46 159.21 73.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 73.120000000000005 110.877 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.68 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.224 . . . . 75.319999999999993 112.377 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER 178.72 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 72.200000000000003 110.845 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 53.8 Cg_endo -69.71 -171.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 71.519999999999996 112.359 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp 57.32 75.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.129999999999995 110.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -153.9 69.69 6.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 74.109999999999999 110.923 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 81.26 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 74.420000000000002 112.387 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 t -80.04 -25.24 40.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 111.123 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -58.59 -32.19 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 75.099999999999994 110.914 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -70.79 -28.72 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -90.39 48.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.439999999999998 110.854 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.68 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.230000000000004 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.3 tp -52.51 -29.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 111.127 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.3 -31.67 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.34 -44.73 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 72.549999999999997 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.2 tp -54.49 -29.81 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tt -65.99 -42.25 90.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.894 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -57.92 -27.98 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.219999999999999 110.902 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -92.89 -34.19 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.409999999999997 110.879 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -34.82 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.88 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.92 -31.25 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 75.010000000000005 111.122 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.4 m -60.32 -32.06 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 70.409999999999997 111.126 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.52 -28.96 17.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 75.120000000000005 110.949 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -26.77 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.120000000000005 111.103 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.09 -27.91 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 74.109999999999999 110.848 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.14 -25.36 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.39 64.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 61.210000000000001 112.514 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -61.96 -33.16 73.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 64.510000000000005 110.874 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtt -77.7 -32.66 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.540000000000006 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -28.23 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.310000000000002 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -59.45 -39.6 84.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 62.539999999999999 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -65.46 -41.21 93.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.453 . . . . 75.209999999999994 110.902 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.16 -146.68 13.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 75.239999999999995 112.498 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 74.120000000000005 110.875 -179.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.771 0.238 . . . . 74.140000000000001 112.349 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -66.45 -63.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 71.329999999999998 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -116.96 81.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.099999999999994 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p -79.11 -18.0 54.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 72.420000000000002 111.117 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -73.51 -11.65 60.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.530000000000001 110.871 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.33 -9.14 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 75.120000000000005 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.5 -30.31 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -51.64 -30.59 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.46 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.088 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.81 -32.02 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.902 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.68 -27.63 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 74.239999999999995 111.127 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -68.11 -26.53 65.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.040000000000006 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -54.97 -30.23 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ptm -118.65 119.36 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.927 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.41 83.57 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.25 110.924 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 87.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 73.329999999999998 110.9 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.637 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 p -145.68 42.15 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 71.439999999999998 111.135 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.1 Cg_endo -69.72 143.15 50.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.672 2.248 . . . . 64.519999999999996 112.356 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.9 p -128.12 148.05 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.340000000000003 111.098 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.25 27.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.961 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -59.83 -31.04 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.319999999999993 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -57.42 -27.44 62.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 110.933 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -96.39 31.11 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.010000000000005 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.26 -168.08 29.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 72.299999999999997 112.461 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.83 157.65 11.79 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.714 -0.755 . . . . 51.119999999999997 112.478 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -123.51 165.41 17.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 75.450000000000003 110.861 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.47 91.99 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.420000000000002 110.915 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.44 -26.35 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 110.852 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -55.03 -31.6 61.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 110.839 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -63.55 -27.88 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 74.299999999999997 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.51 -26.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 111.123 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 mp -80.59 160.64 66.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.578 0.704 . . . . 72.120000000000005 110.906 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 73.030000000000001 112.336 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 t -168.66 72.01 0.79 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 73.349999999999994 110.835 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -171.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.642 2.228 . . . . 75.329999999999998 112.393 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tt -166.91 117.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 73.329999999999998 110.896 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -169.24 71.76 0.71 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.535 0.683 . . . . 75.109999999999999 110.894 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 152.96 69.08 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.654 2.236 . . . . 73.030000000000001 112.32 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 p -84.29 2.06 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 111.102 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -63.07 -26.1 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 110.936 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -58.57 -25.99 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.450000000000003 110.899 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p 51.77 38.28 22.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 63.240000000000002 110.836 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.46 -27.92 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -67.87 -29.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.092 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -85.64 -17.58 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 110.898 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -57.61 -23.31 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 110.873 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.78 -19.03 58.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 64.329999999999998 110.895 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.4 mp -63.73 -16.29 60.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.901 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -58.55 -22.17 54.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.39 -12.58 59.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.420000000000002 110.921 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -94.47 37.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.340000000000003 110.942 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.36 143.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 72.150000000000006 111.145 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -51.36 -30.1 17.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 72.519999999999996 111.156 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.75 -27.85 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.349999999999994 110.941 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.340000000000003 111.12 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.17 -30.1 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.878 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.18 -28.12 38.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.510000000000005 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.47 -22.42 56.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.109999999999999 112.484 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.88 -26.38 58.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 75.129999999999995 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -52.6 -33.2 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.858 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -54.63 -29.6 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 74.049999999999997 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.98 -42.34 98.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 74.510000000000005 110.95 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -52.25 -30.01 25.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 110.946 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.14 78.52 0.98 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.439999999999998 112.508 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 75.230000000000004 110.894 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.768 0.237 . . . . 70.120000000000005 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -107.79 108.53 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 110.883 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -149.88 -178.97 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.866 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.2 m -66.16 -25.19 66.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 111.138 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -52.07 -30.9 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.85 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.75 95.17 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.310000000000002 110.913 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.41 -31.44 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.409999999999997 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.53 -38.43 63.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 72.230000000000004 110.884 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.42 60.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 75.150000000000006 111.12 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.5 -26.22 41.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -53.05 -30.71 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 71.540000000000006 111.14 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -32.42 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.530000000000001 110.876 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.87 -34.03 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.15 96.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.420000000000002 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -127.28 -46.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.400000000000006 110.909 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -58.86 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 75.140000000000001 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t -137.94 42.1 0.58 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 74.209999999999994 111.14 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.75 -171.17 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 71.319999999999993 112.356 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -51.86 113.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 71.340000000000003 111.162 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.95 -48.83 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 73.540000000000006 110.928 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -88.05 8.59 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.239999999999995 110.909 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -77.87 -3.69 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -71.55 -28.89 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.439999999999998 110.829 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 105.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 63.0 112.549 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.37 -25.67 25.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 75.319999999999993 112.435 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -99.74 171.18 8.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.918 0.39 . . . . 65.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 52.18 36.34 18.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 72.319999999999993 110.843 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -79.2 -26.39 42.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 70.099999999999994 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -84.34 2.52 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 73.230000000000004 110.851 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.07 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 75.299999999999997 110.943 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.15 -25.59 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.040000000000006 111.149 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mp -80.48 160.71 66.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 70.239999999999995 110.919 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.83 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.763 2.308 . . . . 74.030000000000001 112.308 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 179.6 -61.03 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 73.140000000000001 110.852 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 53.4 Cg_endo -69.82 175.35 8.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.612 2.208 . . . . 74.329999999999998 112.341 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.61 179.02 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.120000000000005 110.929 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -170.67 73.36 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 72.200000000000003 110.903 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.79 6.68 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 70.109999999999999 112.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 t -83.04 -28.97 29.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.540000000000006 111.144 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -53.14 -33.32 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -67.34 -33.63 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 t -59.99 114.47 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 73.200000000000003 110.868 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -72.09 -27.69 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 64.530000000000001 110.915 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.83 -31.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 73.430000000000007 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.36 -35.58 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.27 -26.41 38.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -26.14 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 71.530000000000001 110.939 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.01 -25.3 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 63.520000000000003 110.922 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.59 -26.02 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.129999999999995 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -29.54 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -95.66 34.59 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.129999999999995 110.914 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 p -86.59 -27.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 74.099999999999994 111.153 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -56.45 -25.23 50.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 73.0 111.192 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.0 tp -52.49 -29.94 27.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.927 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.05 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 111.094 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.18 -32.92 74.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.33 36.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 52.439999999999998 111.1 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.14 -26.03 48.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 60.149999999999999 112.522 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.34 -29.87 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 73.409999999999997 110.909 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -57.5 -30.21 64.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.846 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -57.19 -43.99 83.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.239999999999995 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.03 -55.07 39.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 70.420000000000002 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.38 -26.29 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.420000000000002 110.908 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.52 -98.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 74.519999999999996 112.49 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 73.349999999999994 110.896 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.808 0.253 . . . . 75.439999999999998 112.359 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.58 158.8 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -109.5 88.39 2.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 110.889 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -79.19 -21.01 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 75.450000000000003 111.141 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.31 -25.27 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.5 -7.38 52.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 73.510000000000005 110.881 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 p -50.57 -30.42 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.329999999999998 111.136 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -54.33 -30.89 52.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.200000000000003 110.85 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.99 -20.93 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 111.109 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.03 -21.9 50.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 71.129999999999995 110.894 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.0 m -51.42 -30.03 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.310000000000002 111.125 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -33.32 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 110.954 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -55.05 -36.68 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.129999999999995 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm -134.75 108.23 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.349999999999994 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -114.44 -30.6 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 73.409999999999997 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -58.81 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.430000000000007 110.897 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.631 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.9 m -139.47 42.15 0.52 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.58 0.705 . . . . 74.319999999999993 111.105 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.8 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 74.239999999999995 112.373 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -132.68 125.69 30.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 65.25 111.093 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -106.38 -55.81 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 74.519999999999996 110.879 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -84.7 -28.17 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.010000000000005 110.903 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -30.59 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.119999999999997 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -96.44 30.02 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 74.409999999999997 110.908 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.77 148.29 16.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 72.340000000000003 112.481 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.98 101.2 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 71.109999999999999 112.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.68 136.92 55.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.420000000000002 110.849 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -124.84 134.18 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.62 -26.4 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.140000000000001 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -81.53 -11.85 59.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.140000000000001 110.857 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.33 -27.16 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 64.540000000000006 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.54 -30.36 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.040000000000006 111.121 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tp -140.78 73.75 27.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 75.019999999999996 110.942 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.41 ' HG2' ' H ' ' A' ' 34' ' ' SER . 53.6 Cg_endo -69.82 -85.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 74.230000000000004 112.314 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.41 ' H ' ' HG2' ' A' ' 33' ' ' PRO . 10.6 t -169.51 72.84 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 70.239999999999995 110.847 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 140.32 42.23 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 74.120000000000005 112.314 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -155.46 142.69 19.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 65.540000000000006 110.917 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttm -147.22 157.64 45.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 75.129999999999995 110.88 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 141.35 44.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 74.129999999999995 112.317 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -84.0 -25.2 30.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 111.14 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -54.06 -31.03 50.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.892 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.3 ttp85 -75.44 -30.06 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 110.852 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -62.22 -25.1 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.886 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -52.33 -29.62 24.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 73.25 110.886 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.58 -30.09 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 111.165 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -52.91 -30.17 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 72.25 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.39 -26.38 52.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.897 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.32 -18.87 60.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 74.299999999999997 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -64.31 -16.03 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.209999999999994 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -57.73 -23.03 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.510000000000005 110.906 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.24 -20.07 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 70.540000000000006 110.878 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.85 37.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.936 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 m -51.32 137.62 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 75.140000000000001 111.166 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -86.59 -25.59 24.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 111.125 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.85 -31.34 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.420000000000002 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.1 60.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 73.230000000000004 111.135 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.89 -26.8 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 64.310000000000002 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.43 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 75.140000000000001 111.097 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.36 -24.7 52.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 53.310000000000002 112.495 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.86 -26.74 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 73.120000000000005 110.905 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.7 ptm -52.52 -30.88 32.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.827 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -52.12 -34.81 46.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 74.019999999999996 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.63 -42.14 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 64.040000000000006 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.030000000000001 110.927 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.17 -65.05 3.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 71.409999999999997 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 75.230000000000004 110.924 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.838 0.266 . . . . 72.519999999999996 112.361 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.18 169.42 23.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 74.299999999999997 110.875 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.62 27.2 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.100000000000001 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -57.85 -33.75 68.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 74.209999999999994 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -84.33 -28.72 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.450000000000003 110.887 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.44 55.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 52.009999999999998 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.43 -32.03 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.430000000000007 111.091 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.22 -29.97 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.140000000000001 110.874 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.24 36.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 64.430000000000007 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.12 -29.06 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.019999999999996 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.1 m -52.64 -28.97 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 111.149 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -55.88 -26.91 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.934 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.71 -27.22 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.439999999999998 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttt -84.06 106.13 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 110.906 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -120.89 42.68 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 72.349999999999994 110.915 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -55.28 -25.31 33.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 74.129999999999995 110.895 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.627 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 65.1 42.59 0.36 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 70.230000000000004 111.102 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.8 Cg_endo -69.73 86.57 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.756 2.304 . . . . 61.549999999999997 112.321 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -142.01 73.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.019999999999996 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -87.5 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.549999999999997 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -87.87 7.76 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.030000000000001 110.922 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -68.36 -27.53 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.916 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -72.92 -29.65 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.230000000000004 110.856 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.6 98.66 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 44.450000000000003 112.468 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.2 119.63 0.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 62.149999999999999 112.465 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.53 169.4 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.934 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -123.08 36.42 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.530000000000001 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.81 -44.78 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 73.519999999999996 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -84.35 2.62 39.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 110.851 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -26.56 61.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.140000000000001 110.911 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.9 pt -123.23 24.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 111.116 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tp -80.79 138.9 50.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.567 0.699 . . . . 74.319999999999993 110.954 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' HG2' ' H ' ' A' ' 34' ' ' SER . 54.0 Cg_endo -69.75 -85.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.713 2.276 . . . . 73.219999999999999 112.325 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' H ' ' HG2' ' A' ' 33' ' ' PRO . 1.9 t 57.31 72.13 0.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.715 0.769 . . . . 72.340000000000003 110.865 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -177.38 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 75.519999999999996 112.334 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 pp -114.36 152.19 31.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 71.099999999999994 110.912 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -174.19 73.38 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 74.519999999999996 110.908 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.15 66.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 72.140000000000001 112.369 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -21.91 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 111.131 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -59.32 -22.34 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.209999999999994 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.01 7.45 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.852 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.2 m -63.65 124.44 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 52.5 110.84 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.23 -28.09 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 75.219999999999999 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.91 -48.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.150000000000006 111.128 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.69 -15.56 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -85.63 -35.18 21.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.519999999999996 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -53.93 -29.41 42.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.299999999999997 110.897 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.28 -30.9 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 75.409999999999997 110.896 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -71.28 -40.94 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -47.83 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 75.040000000000006 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -66.7 -28.09 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 70.140000000000001 110.911 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t 61.67 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 75.200000000000003 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -68.35 -25.67 65.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.230000000000004 111.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -53.85 -28.52 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.200000000000003 110.936 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.97 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 111.099 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.71 -39.26 70.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.49 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.140000000000001 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.1 30.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 71.209999999999994 112.501 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.51 -30.66 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 65.209999999999994 110.876 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.07 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 73.450000000000003 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.01 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.510000000000005 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.23 -26.39 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.15 -33.45 40.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 63.119999999999997 110.937 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 133.93 52.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 71.439999999999998 112.495 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 74.209999999999994 110.862 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.788 0.245 . . . . 55.130000000000003 112.351 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -88.27 100.46 13.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.08 143.41 48.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 60.43 110.885 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 m -76.02 -32.68 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 65.409999999999997 111.118 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -84.24 -46.06 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.200000000000003 110.876 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -99.99 61.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.549999999999997 110.878 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.6 -30.94 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.140000000000001 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -54.11 -30.65 49.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.510000000000005 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.51 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -53.44 -32.79 51.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.209999999999994 110.883 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.32 -30.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 111.138 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -65.41 -28.37 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 61.32 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.86 -27.56 43.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 74.120000000000005 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -95.53 -41.04 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.886 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -114.29 82.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 73.439999999999998 110.975 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -25.4 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 75.25 110.857 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.634 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 65.07 42.6 0.36 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.594 0.711 . . . . 74.099999999999994 111.135 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.78 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 74.129999999999995 112.345 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -116.91 117.09 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 65.340000000000003 111.144 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.91 41.51 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.150000000000006 110.886 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -88.08 8.76 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.420000000000002 110.871 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -55.81 -24.6 37.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 73.209999999999994 110.903 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -71.61 -26.62 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 75.409999999999997 110.852 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.88 71.76 2.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.41 91.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 73.450000000000003 112.503 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.64 144.82 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 73.129999999999995 110.862 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.23 139.03 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.109999999999999 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -80.06 -27.65 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 61.299999999999997 110.883 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -84.46 3.04 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 70.340000000000003 110.814 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -96.21 -31.01 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 72.109999999999999 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tp -91.2 -30.45 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 75.140000000000001 111.175 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.0 160.66 29.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 73.129999999999995 110.888 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.46 11.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 74.340000000000003 112.328 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 160.4 46.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.701 0.762 . . . . 71.120000000000005 110.83 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.637 2.225 . . . . 74.349999999999994 112.358 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mt -103.03 129.53 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 153.72 77.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.577 0.703 . . . . 73.049999999999997 110.911 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.77 32.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 74.310000000000002 112.363 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.91 2.04 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 74.099999999999994 111.105 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -78.48 -55.79 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 75.420000000000002 110.892 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -92.25 7.41 42.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -77.04 83.15 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.849 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -70.96 -26.4 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 71.329999999999998 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.8 mp -52.7 -31.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.145 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -55.19 -26.44 39.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.540000000000006 110.875 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.68 -20.99 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 63.219999999999999 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.99 -18.83 59.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.549999999999997 110.933 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.72 -16.01 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 72.25 110.893 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -20.3 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 65.019999999999996 110.855 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -85.7 2.95 43.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 65.5 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -58.25 -36.85 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 75.349999999999994 110.879 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.2 t -151.87 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.136 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -88.66 -79.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.010000000000005 111.13 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -109.59 -75.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.109999999999999 110.875 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.22 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 62.439999999999998 111.102 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -27.98 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.5 -32.57 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.420000000000002 111.158 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.13 -28.79 55.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 72.310000000000002 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.78 -26.85 67.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 65.420000000000002 110.892 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.2 tpp -56.0 -26.34 48.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.928 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -65.79 -18.78 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -6.04 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.310000000000002 110.914 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -51.83 -30.28 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 110.943 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.51 -97.43 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 71.430000000000007 112.48 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 72.540000000000006 110.896 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.768 0.237 . . . . 74.109999999999999 112.341 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -116.07 -54.52 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 74.200000000000003 110.928 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -117.41 26.71 9.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.340000000000003 110.844 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -75.62 -40.53 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.329999999999998 111.143 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -53.2 -41.67 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.120000000000005 110.902 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 53.97 46.3 25.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.862 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.43 -31.45 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 63.240000000000002 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.44 -42.75 83.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 72.129999999999995 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.84 -29.02 61.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 65.230000000000004 111.05 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.05 -28.01 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.329999999999998 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.81 -36.66 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 71.129999999999995 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -75.81 -33.08 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 74.099999999999994 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -54.81 -34.99 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.3 mtt -90.45 64.4 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 74.099999999999994 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -127.57 29.27 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.209999999999994 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -58.9 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.120000000000005 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 37.9 p -139.74 42.09 0.5 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.605 0.716 . . . . 74.140000000000001 111.149 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.79 86.58 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 74.450000000000003 112.358 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -151.04 114.04 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 62.009999999999998 111.145 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.95 120.61 41.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.439999999999998 110.922 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.94 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.877 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -52.73 -32.98 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.925 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -73.12 -39.4 65.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 73.400000000000006 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.43 -157.65 28.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 62.399999999999999 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.48 160.24 9.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 44.039999999999999 112.472 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -108.18 162.49 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 75.540000000000006 110.865 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -111.29 143.88 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 73.140000000000001 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -72.31 -27.36 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -53.27 -33.93 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.824 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -62.49 -35.1 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 61.240000000000002 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.61 -42.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 73.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.57 159.63 13.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.544 0.688 . . . . 72.230000000000004 110.964 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' HG2' ' H ' ' A' ' 34' ' ' SER . 53.2 Cg_endo -69.76 -85.73 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.72 2.28 . . . . 75.209999999999994 112.333 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.405 ' H ' ' HG2' ' A' ' 33' ' ' PRO . 2.2 p -177.88 69.24 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 71.310000000000002 110.866 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 74.340000000000003 112.307 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -96.77 117.82 31.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 64.319999999999993 110.927 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 136.22 22.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 73.530000000000001 110.868 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.1 3.59 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.668 2.246 . . . . 73.400000000000006 112.352 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -74.56 -25.22 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 72.25 111.164 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -62.78 -27.27 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.903 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -89.21 7.37 35.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 74.409999999999997 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -53.2 130.15 33.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 53.310000000000002 110.824 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.57 -30.37 52.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 pt -56.24 -25.14 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.120000000000005 111.151 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.3 -30.49 64.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 72.239999999999995 110.925 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -34.57 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.230000000000004 110.891 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -42.03 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 65.439999999999998 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mp -55.63 -41.64 73.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.530000000000001 110.948 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -80.11 -30.95 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 74.120000000000005 110.865 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -65.61 -26.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 74.530000000000001 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -96.1 36.28 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.86 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.9 133.87 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 72.310000000000002 111.142 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -84.43 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.310000000000002 111.178 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.37 -29.84 36.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.915 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -27.5 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.104 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.46 -26.47 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 70.219999999999999 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.24 -35.46 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 65.319999999999993 111.068 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.15 -31.87 56.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 74.239999999999995 112.455 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.72 -26.53 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 73.450000000000003 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -52.16 -31.2 30.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 64.340000000000003 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -60.85 -36.97 80.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.28 -26.74 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 65.200000000000003 110.926 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -53.81 -34.27 58.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.230000000000004 110.947 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.44 115.28 4.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 75.430000000000007 112.5 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 110.894 -179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.817 0.257 . . . . 74.430000000000007 112.31 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 159.14 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 74.030000000000001 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -98.28 28.64 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.340000000000003 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -66.25 -25.59 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 70.310000000000002 111.131 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -52.23 -31.31 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 74.329999999999998 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -81.23 63.04 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.120000000000005 110.896 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.4 -37.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 111.154 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -52.1 -32.73 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.340000000000003 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.82 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 64.439999999999998 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -52.15 -30.33 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.109999999999999 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.84 -61.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 75.109999999999999 111.112 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -71.81 -31.78 66.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 110.875 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -54.89 -29.04 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 53.299999999999997 110.928 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttp -56.23 158.8 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.230000000000004 110.859 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.28 48.35 4.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.150000000000006 110.952 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 18' ' ' PRO . 13.8 mtmm -56.04 -21.87 24.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 71.409999999999997 110.887 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t 39.95 50.17 3.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 75.120000000000005 111.158 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.5 Cg_endo -69.78 -179.31 2.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 74.140000000000001 112.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 141.41 48.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.450000000000003 111.175 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.66 110.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.140000000000001 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -59.33 -40.48 86.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 74.200000000000003 110.893 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.84 -26.65 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -75.24 -32.11 61.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 72.430000000000007 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.52 167.03 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 63.450000000000003 112.45 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.63 -175.03 40.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 74.150000000000006 112.525 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.37 172.64 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 73.019999999999996 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.5 106.37 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.872 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -76.87 -29.23 55.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.340000000000003 110.869 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.58 -21.51 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.030000000000001 110.839 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.25 -25.02 46.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.400000000000006 110.883 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -94.86 23.14 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.329999999999998 111.166 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.02 73.41 3.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.702 . . . . 73.219999999999999 110.933 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -172.98 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.717 2.278 . . . . 73.430000000000007 112.377 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.45 160.39 28.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 71.329999999999998 110.862 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.67 6.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 63.200000000000003 112.362 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt 62.83 88.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 66.78 38.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 74.530000000000001 110.892 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.95 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.704 2.269 . . . . 65.530000000000001 112.346 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -87.28 -69.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 71.219999999999999 111.178 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -88.4 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.239999999999995 110.927 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -104.87 -58.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 75.040000000000006 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.54 -169.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 75.030000000000001 110.839 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -75.68 -30.22 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 74.209999999999994 110.849 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 pt -58.56 -24.11 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 74.329999999999998 111.152 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.37 -21.79 60.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.319999999999993 110.863 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.26 -17.26 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.099999999999994 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.24 -18.76 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 110.933 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.37 -18.0 56.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 75.349999999999994 110.929 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -62.06 -17.9 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.837 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -102.2 -20.45 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.400000000000006 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -95.78 29.27 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 74.019999999999996 110.863 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.5 m -141.52 25.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.25 111.135 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.8 p -85.95 -61.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.329999999999998 111.14 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.26 -26.44 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 75.510000000000005 110.941 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.91 64.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 111.07 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.59 -27.21 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 60.420000000000002 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -33.5 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.530000000000001 111.092 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.01 -22.04 74.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 74.019999999999996 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.26 -26.99 61.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.364 . . . . 74.239999999999995 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 tpt -78.05 -35.51 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.430000000000007 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -76.25 -26.25 55.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -54.63 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -66.62 -38.24 86.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 110.917 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.76 -142.67 35.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 75.530000000000001 112.522 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 71.430000000000007 110.872 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.764 0.235 . . . . 75.129999999999995 112.372 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -80.57 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.329999999999998 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -141.13 158.62 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.120000000000005 110.911 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -75.19 -27.71 59.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 55.240000000000002 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -52.96 -30.89 37.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.109999999999999 110.889 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.22 102.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 75.540000000000006 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.35 -31.74 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.219999999999999 111.112 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.46 -34.43 57.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.865 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.21 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.209999999999994 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -55.11 -31.32 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.239999999999995 110.921 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 t -66.13 -35.03 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.35 -30.51 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 110.879 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.71 -27.64 42.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.319999999999993 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.7 mtt -106.5 68.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.530000000000001 110.865 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -53.34 -28.74 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 75.25 110.945 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.82 86.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.530000000000001 110.939 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t -139.09 42.11 0.53 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 72.230000000000004 111.162 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.0 Cg_endo -69.79 -37.33 9.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 72.329999999999998 112.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 p 49.89 34.82 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 75.5 111.168 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tp -124.81 28.45 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -70.47 -28.1 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.898 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -55.55 -34.86 65.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 75.219999999999999 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -111.76 26.59 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.329999999999998 110.908 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.46 100.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 73.109999999999999 112.472 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.58 -153.24 52.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 53.149999999999999 112.524 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.6 151.97 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 73.140000000000001 110.877 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -136.08 -52.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.909 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -58.06 -26.23 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 64.239999999999995 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -55.21 -26.67 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.871 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -55.13 -32.05 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 73.129999999999995 110.875 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -26.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 75.540000000000006 111.101 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.66 73.17 2.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 75.219999999999999 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.16 31.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.244 . . . . 73.129999999999995 112.329 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -172.73 68.58 0.39 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.723 0.773 . . . . 75.519999999999996 110.843 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 169.07 19.77 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.664 2.243 . . . . 73.310000000000002 112.36 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.4 31.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.936 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 160.68 2.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 74.109999999999999 110.882 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.7 54.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 74.510000000000005 112.341 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -85.2 2.04 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 73.319999999999993 111.116 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -56.66 -29.24 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.219999999999999 110.928 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -60.53 -26.64 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.904 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t -61.59 169.91 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 54.119999999999997 110.884 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -75.19 -26.57 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.400000000000006 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 pp -51.84 -30.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 74.019999999999996 111.095 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.34 -37.6 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.71 -26.93 44.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.019999999999996 110.865 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.47 -40.61 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.909 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.53 -28.74 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.95 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -80.4 -30.96 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 71.129999999999995 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -57.05 -28.33 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.540000000000006 110.932 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -60.9 -28.81 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 73.510000000000005 110.924 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 p 39.55 38.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.010000000000005 111.138 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -26.02 67.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 tt -55.36 -26.79 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.430000000000007 110.914 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.7 -31.62 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 71.219999999999999 111.157 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.94 -33.78 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.409999999999997 110.838 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.86 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 -20.93 60.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 61.229999999999997 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -64.31 -29.3 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 73.510000000000005 110.86 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -54.56 -27.29 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 110.886 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -53.27 -31.8 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 74.409999999999997 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -55.07 -44.07 74.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 110.876 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.24 -29.84 70.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 74.540000000000006 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.6 165.45 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 72.239999999999995 112.504 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 75.540000000000006 110.871 -179.849 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.79 0.246 . . . . 75.409999999999997 112.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -84.47 -28.1 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 73.129999999999995 110.891 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.21 93.52 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.319999999999993 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -66.1 -32.3 73.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 111.151 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.5 mtt180 -72.96 -37.89 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 72.209999999999994 110.855 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 63.42 160.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.866 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.4 -31.0 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.549999999999997 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.450000000000003 110.896 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 -30.68 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 74.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -60.41 -42.6 96.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 110.883 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.9 m -59.35 -25.0 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.16 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.61 -25.88 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.209999999999994 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -54.61 -27.28 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 62.149999999999999 110.847 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.7 mtm -143.83 25.15 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.450000000000003 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -117.07 -27.01 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.299999999999997 110.907 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -58.83 87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 72.430000000000007 110.845 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.512 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.57 -58.41 10.11 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.593 0.711 . . . . 75.329999999999998 111.145 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.79 -171.67 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.257 . . . . 73.340000000000003 112.346 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.42 134.78 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 72.120000000000005 111.139 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.87 100.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 75.129999999999995 110.89 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -80.97 -26.28 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.200000000000003 110.916 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -66.23 -26.33 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.109999999999999 110.96 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -72.08 -39.25 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 74.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.9 149.49 20.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 71.099999999999994 112.492 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.15 115.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 64.439999999999998 112.521 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -123.15 132.86 54.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 74.439999999999998 110.855 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -121.9 68.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.340000000000003 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -78.66 -24.65 45.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.916 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -54.61 -27.3 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.030000000000001 110.826 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.48 -38.56 59.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 71.120000000000005 110.959 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.42 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 64.209999999999994 111.115 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.12 72.87 2.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.595 0.712 . . . . 72.340000000000003 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.91 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.62 2.214 . . . . 64.299999999999997 112.378 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.44 160.51 36.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.701 0.762 . . . . 72.25 110.86 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 75.030000000000001 112.355 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -119.98 162.05 19.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -89.51 158.06 46.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 75.239999999999995 110.93 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.23 . . . . 74.450000000000003 112.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.0 m -79.07 -24.13 43.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 64.349999999999994 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -62.33 -25.07 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 74.349999999999994 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -26.7 63.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 74.5 110.872 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.1 p -52.96 119.95 5.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.873 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -69.83 -25.31 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.219999999999999 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.15 -27.19 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 75.519999999999996 111.106 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.92 -26.29 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.040000000000006 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.0 -56.74 12.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 75.030000000000001 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.28 -18.61 57.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 74.450000000000003 110.944 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.3 tp -86.59 -9.8 55.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 71.109999999999999 110.961 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.65 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.129999999999995 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.83 -73.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.239999999999995 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -144.79 -56.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.200000000000003 110.873 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 51' ' ' LYS . 89.8 t 35.19 80.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 111.164 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -86.27 -24.91 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 111.166 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 mp -51.83 -30.54 23.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.439999999999998 110.887 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.71 63.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 65.150000000000006 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -96.71 -26.52 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.75 -18.74 60.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 111.078 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.58 -14.89 63.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 62.539999999999999 112.505 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -54.7 -26.32 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 74.239999999999995 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -28.84 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 75.409999999999997 110.875 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -54.72 -31.1 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 74.420000000000002 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.83 -27.51 68.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.230000000000004 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -52.12 -38.74 58.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.92 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.57 -116.68 8.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 70.109999999999999 112.508 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 70.310000000000002 110.922 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.785 0.244 . . . . 75.439999999999998 112.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -97.77 144.61 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 71.219999999999999 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -51.99 107.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.854 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -79.02 -23.45 44.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.109999999999999 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -51.91 -44.94 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.54 129.4 38.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.200000000000003 110.84 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.34 -32.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 72.340000000000003 111.143 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.0 -30.4 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.010000000000005 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.37 -37.73 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 111.125 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.44 -53.15 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.040000000000006 110.926 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.03 -28.44 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 73.319999999999993 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -59.37 -46.4 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.109999999999999 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -54.92 -33.08 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.099999999999994 110.893 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mmt -81.52 -179.4 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 72.450000000000003 110.861 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.69 84.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.915 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -58.11 -59.91 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 71.530000000000001 110.886 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.56 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -161.91 46.43 0.19 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 74.519999999999996 111.152 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.4 Cg_endo -69.7 135.02 29.52 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 62.439999999999998 112.356 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m 54.96 48.57 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 73.25 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.84 -175.86 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 72.310000000000002 110.904 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -88.1 8.68 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 110.925 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.4 -6.0 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 110.955 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -71.48 -25.37 62.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 74.120000000000005 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 116.67 4.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 74.099999999999994 112.487 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.7 68.02 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 73.150000000000006 112.503 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -122.32 135.43 54.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -161.04 177.82 9.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 73.129999999999995 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -54.4 -27.65 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.230000000000004 110.925 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 t -55.83 -26.19 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 70.25 110.873 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.21 -26.86 42.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.099999999999994 110.902 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.3 pt -117.07 -38.8 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 111.116 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -166.95 158.67 10.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 71.219999999999999 110.867 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 74.310000000000002 112.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER 178.75 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.661 0.743 . . . . 64.239999999999995 110.866 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 54.0 Cg_endo -69.77 146.42 60.09 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.653 2.236 . . . . 71.540000000000006 112.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.9 tp -174.94 126.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 72.409999999999997 110.957 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -133.49 72.65 74.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 73.340000000000003 110.924 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.03 69.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.662 2.241 . . . . 72.230000000000004 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -84.7 -26.27 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 111.159 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -52.1 -31.26 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.905 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -61.34 -36.31 79.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 73.409999999999997 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -64.57 136.09 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.856 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -78.16 -32.28 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 75.409999999999997 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.6 -27.05 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.420000000000002 111.094 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.11 -26.5 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.349999999999994 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.78 -29.56 28.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 73.230000000000004 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -40.05 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.420000000000002 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.28 -26.0 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.549999999999997 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.56 -26.67 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.549999999999997 110.85 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.04 2.91 55.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -128.39 37.39 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 70.409999999999997 110.875 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.41 108.87 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.239999999999995 111.121 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -78.22 -26.0 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 62.340000000000003 111.112 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.76 3.93 49.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 75.239999999999995 110.829 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -29.54 24.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 71.530000000000001 111.111 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.8 -39.81 71.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.109999999999999 110.914 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 -27.91 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.420000000000002 111.101 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.46 -29.89 32.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.409999999999997 112.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.51 -31.23 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 72.319999999999993 110.863 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -75.77 -34.67 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.120000000000005 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.540000000000006 110.939 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -54.27 -42.26 69.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 65.540000000000006 110.944 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -53.5 -38.98 64.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 73.239999999999995 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.67 54.25 4.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 74.439999999999998 112.546 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 72.150000000000006 110.881 -179.853 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.776 0.24 . . . . 65.430000000000007 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 62.82 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.120000000000005 110.877 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -79.7 153.69 29.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 75.540000000000006 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -71.11 -25.47 62.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 65.209999999999994 111.132 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.420000000000002 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 52.46 58.81 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.41 -33.86 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.420000000000002 111.095 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -53.66 -34.92 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.109999999999999 110.898 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -24.09 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 61.409999999999997 111.052 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.48 -23.62 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 75.120000000000005 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.8 p -54.15 -32.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.14 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -22.73 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.230000000000004 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.47 -40.47 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 tpp -174.15 152.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 75.299999999999997 110.86 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' C ' ' HD3' ' A' ' 18' ' ' PRO . 5.9 t80 -130.72 59.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.230000000000004 110.954 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -68.78 64.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 74.239999999999995 110.867 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.3 p 45.78 48.49 5.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 74.030000000000001 111.167 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.8 138.23 37.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.0 112.332 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.9 t -67.77 -19.97 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 51.420000000000002 111.115 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.89 69.25 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.319999999999993 110.903 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -87.66 -24.52 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.239999999999995 110.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -51.98 -30.95 27.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -72.61 -36.76 68.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 65.349999999999994 110.87 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 134.8 21.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 71.420000000000002 112.53 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.97 130.5 2.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 74.040000000000006 112.467 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -121.64 162.19 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 74.010000000000005 110.905 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.06 137.95 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.329999999999998 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -64.04 -26.05 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 75.209999999999994 110.826 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -84.21 -11.77 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 74.140000000000001 110.892 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -97.95 -4.0 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 74.430000000000007 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 pt -116.12 24.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.209999999999994 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.56 158.27 34.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 75.030000000000001 110.907 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.55 33.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 74.430000000000007 112.348 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.2 p 47.69 68.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.707 0.765 . . . . 74.150000000000006 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.19 35.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.636 2.224 . . . . 74.239999999999995 112.362 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.96 100.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.33 73.16 13.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 75.150000000000006 110.882 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 106.88 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 75.319999999999993 112.362 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -84.44 2.08 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 70.010000000000005 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -52.02 -31.4 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 74.5 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -100.52 -32.44 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.420000000000002 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m 53.32 68.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.852 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -26.96 49.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 74.25 110.864 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 pt -55.08 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.25 111.14 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.16 -30.7 66.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 73.530000000000001 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.83 -56.64 18.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 73.019999999999996 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.75 -26.48 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.450000000000003 110.904 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.5 tt -58.63 -44.37 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 110.911 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.56 -37.04 73.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 110.901 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.25 -27.51 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.120000000000005 110.884 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -125.48 35.47 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 110.892 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 p -83.08 161.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.299999999999997 111.124 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -76.12 -33.1 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 73.219999999999999 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 pp -81.87 4.59 21.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.230000000000004 110.889 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.79 -39.55 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.450000000000003 111.059 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.17 -26.26 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 73.239999999999995 110.883 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.82 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.16 -14.95 62.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 73.400000000000006 112.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -55.33 -25.82 36.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 72.400000000000006 110.844 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.74 -29.54 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 110.887 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -53.7 -30.4 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.32 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.53 -42.8 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.919 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.86 178.85 41.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 72.439999999999998 112.479 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 73.219999999999999 110.93 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.371 . . . . 73.01 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.49 -31.23 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.131 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -51.91 -30.51 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 62.22 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.09 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.03 111.09 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.45 -38.2 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.77 -31.54 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -30.64 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.892 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -47.57 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.942 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.855 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.922 0.392 . . . . 74.22 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -76.25 -21.09 56.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 65.11 110.893 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.47 -32.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 71.24 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.26 -30.68 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.4 -26.67 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.42 -31.53 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 75.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.06 -35.41 78.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -29.18 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.823 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.15 -34.55 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.863 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.35 110.904 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.779 0.323 . . . . 74.12 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.7 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 60.33 111.048 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -70.2 -31.34 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.902 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.18 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.109 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.41 -23.13 68.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.682 -0.771 . . . . 73.23 112.486 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.38 -44.13 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 55.01 110.877 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.55 -26.35 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.925 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -28.19 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.53 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.1 -30.34 71.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.34 -27.75 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.913 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 60.45 112.534 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 50.44 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.35 -45.58 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.677 ' O ' HG12 ' A' ' 11' ' ' VAL . 43.5 m-85 -61.29 -31.76 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 54.03 110.898 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.84 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.02 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.92 -45.29 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.7 p -53.87 -29.7 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 43.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -62.71 -28.23 69.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -54.67 -28.53 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 71.11 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.5 ttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 53.43 110.878 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.9 0.381 . . . . 61.1 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -78.03 -30.06 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.93 -44.92 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 63.13 111.123 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -56.11 -27.73 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.862 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -87.5 -30.79 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 70.32 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.16 -18.95 60.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.913 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.71 -16.15 62.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.45 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -54.78 -26.59 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.888 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -57.89 -27.48 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.92 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 71.54 110.887 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 71.42 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.95 68.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.114 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.78 -32.6 14.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.0 -18.84 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.88 -14.97 64.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 51.03 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.71 -30.24 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 73.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -54.03 -27.91 35.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.873 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -31.46 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -66.68 -34.81 78.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 64.15 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -74.09 -40.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.924 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 65.41 112.523 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.919 0.39 . . . . 74.04 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.6 t -50.41 -32.38 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 62.43 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 11' ' ' VAL . 31.1 m-85 -55.7 -36.71 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.925 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.39 26.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.79 -29.39 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.9 p -52.46 -29.18 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.11 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.99 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 54.22 110.951 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -54.58 -27.44 38.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.94 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.862 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.9 0.381 . . . . 61.22 110.823 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -52.05 -30.29 24.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.84 -30.09 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.08 -30.63 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.35 -54.68 28.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 70.53 110.81 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.94 -38.79 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.915 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.43 -31.23 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.886 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.92 -46.7 86.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -58.39 -29.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HA ' HD23 ' A' ' 54' ' ' LEU . 8.7 ttmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 51' ' ' LYS . 1.7 pp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 61.04 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -27.26 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 62.42 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -53.5 -28.66 32.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.67 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.23 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.16 -23.79 48.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 61.14 112.507 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.0 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 74.22 110.841 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.01 -37.42 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.869 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -65.34 -45.7 83.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.948 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -59.8 -28.05 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.922 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -93.6 16.19 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.915 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.22 112.477 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 12.4 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.917 0.389 . . . . 53.42 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -50.39 -34.05 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.43 111.107 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 11' ' ' VAL . 59.5 t80 -70.94 -38.29 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -76.26 -25.26 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 61.14 111.111 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -55.27 -26.44 40.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.7 m -52.89 -28.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.03 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.01 -45.76 66.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 62.03 110.89 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -54.79 -36.53 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.862 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 52.53 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -55.66 -30.6 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.876 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 47' ' ' LEU . 40.9 pt -80.52 -25.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 71.34 111.124 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.44 -26.27 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.12 110.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.21 -26.66 40.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 51.21 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -56.12 -25.48 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.76 -21.9 56.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.933 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.12 -23.93 50.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 74.5 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -73.53 -20.98 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 62.2 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.2 110.905 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 74.03 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.25 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 45.3 111.128 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.98 -29.95 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.38 -53.52 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.14 -19.69 68.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 72.52 112.504 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.43 -28.25 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 75.54 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.9 ttm -83.51 -26.98 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.34 -31.74 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 52.44 110.94 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -51.96 -31.97 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.971 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.86 -40.17 75.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.937 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 41.43 112.499 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.922 0.391 . . . . 71.41 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -50.47 -31.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.53 111.1 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.09 -29.01 28.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -28.23 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 73.44 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.55 -32.13 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -55.68 -58.49 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.31 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -52.22 -33.75 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.864 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.84 -38.95 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.904 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.89 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 44' ' ' ILE . 1.5 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.908 0.385 . . . . 73.24 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -71.86 -23.01 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 42' ' ' SER . 14.2 tt -52.03 -29.36 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 61.1 111.137 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' HD22 ' A' ' 48' ' ' LEU . 10.6 pt-20 -55.16 -28.38 52.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.16 -17.29 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 63.23 110.899 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.92 -19.02 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -60.47 -18.62 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 44.13 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.411 ' N ' HD23 ' A' ' 48' ' ' LEU . 12.6 m-85 -73.82 -47.56 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.921 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.51 -24.13 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 33.3 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tptm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.914 179.869 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 5.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.797 0.332 . . . . 75.41 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.57 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.42 111.102 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.25 -26.62 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -53.4 -29.72 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 44.41 111.068 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.43 -34.26 57.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 53.51 112.475 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.27 -28.57 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 74.25 110.871 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 ttt -75.28 -28.59 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.833 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -69.92 -45.76 66.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.93 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -71.75 -29.34 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -68.55 -27.08 65.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.13 110.94 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 64.13 112.485 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.358 . . . . 72.21 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.37 -35.05 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -32.49 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.08 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -53.51 -54.44 37.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 72.41 110.936 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -82.04 -29.3 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.106 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -26.03 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -54.83 -26.93 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.934 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mmm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.896 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 75.21 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.89 -29.74 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.2 110.884 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.8 tt -56.6 -29.68 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 63.12 111.091 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.16 -45.57 92.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -37.63 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.93 -33.4 70.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.03 -33.1 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -55.95 -46.7 78.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.844 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.5 -23.53 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 51.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.24 110.903 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 72.31 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.24 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 53.45 111.075 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.71 -42.48 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.45 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.55 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.15 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.52 -16.39 50.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 65.25 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -16.77 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.31 110.898 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 84.8 mtp -61.78 -16.66 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 60.41 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -17.32 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.65 -11.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 63.52 110.915 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.14 -26.12 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.02 110.937 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 72.43 112.524 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.891 0.377 . . . . 74.52 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -50.36 -32.46 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.24 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' VAL . 57.5 t80 -52.84 -31.39 38.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.2 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.102 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -52.16 -30.59 27.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.3 m -54.48 -22.0 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.107 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.14 -15.8 57.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 61.31 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -22.68 21.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.937 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.9 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 63.31 110.79 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.82 -26.44 49.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 62.12 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 pt -52.86 -28.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 64.3 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.06 -30.41 25.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 51.33 110.906 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.92 -28.54 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 52.11 110.865 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.9 -30.43 44.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 48' ' ' LEU . 9.6 tt -69.51 -32.08 70.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.929 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.67 -26.7 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.838 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -87.74 -26.24 23.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.86 0.362 . . . . 74.22 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.77 -30.18 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.33 111.14 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -58.38 -35.22 71.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.33 110.883 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.82 -25.2 60.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.161 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.0 45.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 35.11 112.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.39 -34.16 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 72.42 110.88 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -68.09 -42.57 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.61 -26.08 65.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.891 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -53.12 -29.58 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.921 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.36 -46.33 90.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 72.02 110.912 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.42 112.492 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.955 0.407 . . . . 72.04 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -50.37 -58.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.12 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.564 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.3 p90 -56.05 -27.16 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.869 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -24.83 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.083 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -51.6 -30.57 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 73.51 110.928 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 8' ' ' PHE . 32.4 m -53.81 -30.1 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.103 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -57.38 -25.88 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.891 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -54.64 -27.17 37.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.916 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.961 0.41 . . . . 63.4 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.28 -38.93 85.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 71.43 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -83.23 -25.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 51.02 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.45 -14.63 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.04 110.838 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -50.79 -55.19 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.794 HD13 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.92 -12.56 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.958 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.573 ' N ' HD22 ' A' ' 47' ' ' LEU . 8.0 tp -80.87 -20.54 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.86 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.6 -26.37 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.863 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.84 0.352 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.54 -26.9 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.01 111.102 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.84 -37.13 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 61.01 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.53 -30.67 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 73.22 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.62 99.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.33 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.93 -34.88 78.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 65.2 110.909 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttm -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 41.21 110.88 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -78.64 -35.39 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -66.83 -49.18 66.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -77.03 -38.79 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.928 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 73.41 112.499 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 75.32 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.43 -31.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.22 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 11' ' ' VAL . 49.8 t80 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -25.14 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 63.32 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.65 -31.74 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.01 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 8' ' ' PHE . 19.9 m -52.02 -29.94 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.11 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -55.11 -26.77 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 51.33 110.897 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -54.84 -46.33 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 55.44 110.894 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.12 110.864 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.856 0.36 . . . . 71.44 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.68 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 47' ' ' LEU . 9.3 tp -52.51 -29.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.22 111.127 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.3 -31.67 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.34 -44.73 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 72.55 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 44' ' ' ILE . 19.2 tp -54.49 -29.81 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.9 tt -65.99 -42.25 90.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -57.92 -27.98 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -92.89 -34.19 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.879 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.88 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.868 0.366 . . . . 74.35 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -26.77 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.12 111.103 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.09 -27.91 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 63.34 110.848 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.14 -25.36 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.11 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.39 64.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 61.21 112.514 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -61.96 -33.16 73.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 43.24 110.874 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtt -77.7 -32.66 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -28.23 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -59.45 -39.6 84.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 52.51 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -65.46 -41.21 93.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.902 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.498 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.896 0.379 . . . . 61.12 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.5 -30.31 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.41 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -51.64 -30.59 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.46 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.088 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.81 -32.02 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.902 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.68 -27.63 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.45 111.127 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -68.11 -26.53 65.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -54.97 -30.23 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 64.4 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.927 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 63.24 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.46 -27.92 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.677 ' O ' HD23 ' A' ' 47' ' ' LEU . 76.2 mt -67.87 -29.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.35 111.092 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' HD13 ' A' ' 48' ' ' LEU . 43.2 mm-40 -85.64 -17.58 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -57.61 -23.31 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.873 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 44' ' ' ILE . 1.4 pp -60.78 -19.03 58.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.895 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 45' ' ' GLU . 8.4 mp -63.73 -16.29 60.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -58.55 -22.17 54.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.39 -12.58 59.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.921 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.942 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 74.35 110.941 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.15 111.12 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.17 -30.1 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.18 -28.12 38.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.47 -22.42 56.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.11 112.484 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.88 -26.38 58.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 70.11 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -52.6 -33.2 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.858 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -54.63 -29.6 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 61.24 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.98 -42.34 98.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.95 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -52.25 -30.01 25.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.946 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.44 112.508 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.916 0.388 . . . . 75.31 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.41 -31.44 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 84.1 m-85 -53.53 -38.43 63.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 65.5 110.884 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.42 60.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 60.32 111.12 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.5 -26.22 41.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.9 p -53.05 -30.71 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 71.54 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -32.42 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.876 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.87 -34.03 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.877 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 61.5 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -72.09 -27.69 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.83 -31.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.36 -35.58 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.27 -26.41 38.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -26.14 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 71.53 110.939 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.01 -25.3 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.922 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.59 -26.02 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 60.4 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -52.53 -29.54 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.914 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.853 0.359 . . . . 73.03 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.05 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.02 111.094 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.18 -32.92 74.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.33 36.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 51.13 111.1 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.14 -26.03 48.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 43.42 112.522 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.34 -29.87 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 73.41 110.909 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -57.5 -30.21 64.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 70.33 110.846 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -57.19 -43.99 83.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.03 -55.07 39.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 61.12 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.38 -26.29 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.908 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 74.4 112.49 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.874 0.368 . . . . 63.22 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 p -50.57 -30.42 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.136 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.524 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.6 p90 -54.33 -30.89 52.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.85 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.99 -20.93 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.1 111.109 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.03 -21.9 50.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 64.32 110.894 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 8' ' ' PHE . 17.0 m -51.42 -30.03 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.125 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -33.32 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 55.34 110.954 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -55.05 -36.68 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.87 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.924 0.392 . . . . 51.34 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -52.33 -29.62 24.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 71.23 110.886 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.58 -30.09 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 51.22 111.165 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -52.91 -30.17 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 60.24 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.39 -26.38 52.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.897 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.32 -18.87 60.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 63.33 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -64.31 -16.03 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -57.73 -23.03 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.906 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.24 -20.07 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.35 110.878 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.936 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.789 0.328 . . . . 75.42 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.1 60.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.135 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.89 -26.8 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 64.31 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.43 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 53.22 111.097 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.36 -24.7 52.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 45.31 112.495 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.86 -26.74 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 71.14 110.905 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.7 ptm -52.52 -30.88 32.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.827 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -52.12 -34.81 46.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 74.02 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.63 -42.14 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 64.04 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 63.02 112.481 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.87 0.367 . . . . 52.01 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.43 -32.03 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.091 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.559 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.4 t80 -52.22 -29.97 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.874 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.24 36.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 63.25 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.12 -29.06 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.03 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.1 m -52.64 -28.97 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.149 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -55.88 -26.91 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.934 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.71 -27.22 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.906 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.915 0.388 . . . . 52.5 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.23 -28.09 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 63.31 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' HA ' HD23 ' A' ' 47' ' ' LEU . 65.3 mt -60.91 -48.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 71.45 111.128 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.69 -15.56 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 51.44 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -85.63 -35.18 21.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 44' ' ' ILE . 1.1 pp -53.93 -29.41 42.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.897 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.28 -30.9 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.896 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -71.28 -40.94 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -47.83 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 70.14 110.911 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.351 . . . . 72.53 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.97 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 33.54 111.099 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.71 -39.26 70.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 43.25 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.49 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 54.15 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.1 30.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 71.21 112.501 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.51 -30.66 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 65.21 110.876 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.07 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.01 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.23 -26.39 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.15 -33.45 40.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.937 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 71.44 112.495 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.93 0.395 . . . . 71.55 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.6 -30.94 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.14 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 11' ' ' VAL . 64.8 m-85 -54.11 -30.65 49.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.845 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.51 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -53.44 -32.79 51.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.883 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' PHE . 18.0 m -69.32 -30.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.3 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -65.41 -28.37 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 61.32 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.86 -27.56 43.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.886 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.884 0.374 . . . . 75.25 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -70.96 -26.4 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 63.45 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.8 HG22 HD23 ' A' ' 47' ' ' LEU . 3.8 mp -52.7 -31.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.145 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -55.19 -26.44 39.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.875 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.68 -20.99 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 62.4 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 44' ' ' ILE . 1.7 pp -60.99 -18.83 59.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.933 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.72 -16.01 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 65.25 110.893 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -20.3 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.855 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -85.7 2.95 43.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.35 110.879 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.791 0.329 . . . . 63.51 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.22 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.14 111.102 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -27.98 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.5 -32.57 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 53.14 111.158 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.13 -28.79 55.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 72.31 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.78 -26.85 67.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 63.11 110.892 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.2 tpp -56.0 -26.34 48.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.928 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -65.79 -18.78 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.04 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -6.04 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.914 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -51.83 -30.28 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.943 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 64.2 112.48 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.899 0.38 . . . . 72.25 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.43 -31.45 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.44 -42.75 83.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 72.13 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.84 -29.02 61.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 65.23 111.05 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.05 -28.01 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.81 -36.66 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 71.13 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -75.81 -33.08 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 65.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -54.81 -34.99 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.3 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 62.21 110.883 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.885 0.374 . . . . 53.31 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.57 -30.37 52.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 pt -56.24 -25.14 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.12 111.151 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.3 -30.49 64.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.925 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -34.57 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.891 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -42.03 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 61.13 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mp -55.63 -41.64 73.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.948 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -80.11 -30.95 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 63.41 110.865 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -65.61 -26.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.86 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.823 0.344 . . . . 71.43 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -27.5 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.104 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.46 -26.47 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.24 -35.46 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 51.03 111.068 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.15 -31.87 56.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.455 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.72 -26.53 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 73.45 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -52.16 -31.2 30.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -60.85 -36.97 80.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.28 -26.74 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.926 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -53.81 -34.27 58.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.947 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 75.43 112.5 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.878 0.37 . . . . 74.12 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.4 -37.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.3 111.154 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' VAL . 85.3 t80 -52.1 -32.73 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 44.45 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.82 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 64.44 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -52.15 -30.33 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 8' ' ' PHE . 61.9 t -57.84 -61.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.112 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -71.81 -31.78 66.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.4 110.875 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -54.89 -29.04 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 51.23 110.928 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.859 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.879 0.371 . . . . 62.14 110.839 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -75.68 -30.22 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 72.32 110.849 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.2 pt -58.56 -24.11 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.23 111.152 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.529 ' O ' HD22 ' A' ' 48' ' ' LEU . 1.8 mt-10 -59.37 -21.79 60.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.26 -17.26 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 44' ' ' ILE . 8.6 mp -60.24 -18.76 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.933 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -61.37 -18.0 56.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 75.35 110.929 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -62.06 -17.9 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.837 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -102.2 -20.45 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 tttp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.863 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.833 0.349 . . . . 75.51 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.91 64.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 44.1 111.07 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.59 -27.21 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -33.5 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.53 111.092 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.01 -22.04 74.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.26 -26.99 61.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.364 . . . . 74.24 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 tpt -78.05 -35.51 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -76.25 -26.25 55.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -54.63 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.31 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -66.62 -38.24 86.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.917 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 24.1 112.522 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.92 0.39 . . . . 75.25 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.35 -31.74 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.22 111.112 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.46 -34.43 57.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.865 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.21 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -55.11 -31.32 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.24 110.921 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 t -66.13 -35.03 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.13 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.35 -30.51 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.879 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.71 -27.64 42.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.865 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 54.12 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -75.19 -26.57 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 pp -51.84 -30.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.34 -37.6 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.71 -26.93 44.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.865 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.47 -40.61 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.53 -28.74 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.23 110.95 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -80.4 -30.96 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -57.05 -28.33 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.13 110.932 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.924 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 54' ' ' LEU . 6.3 tt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.787 0.327 . . . . 74.43 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.7 -31.62 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 71.22 111.157 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.94 -33.78 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.41 110.838 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.86 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 -20.93 60.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 23.5 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -64.31 -29.3 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 73.51 110.86 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -54.56 -27.29 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.886 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -53.27 -31.8 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 44.45 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -55.07 -44.07 74.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.876 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.24 -29.84 70.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 74.54 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.44 112.504 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 71.21 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.4 -31.0 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 t80 -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 -30.68 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.087 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -60.41 -42.6 96.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.883 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 8' ' ' PHE . 28.9 m -59.35 -25.0 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.33 111.16 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.61 -25.88 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -54.61 -27.28 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 62.15 110.847 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.7 mtm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.911 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.886 0.374 . . . . 64.12 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -69.83 -25.31 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.15 -27.19 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 61.31 111.106 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.92 -26.29 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.0 -56.74 12.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 75.03 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.28 -18.61 57.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.944 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.3 tp -86.59 -9.8 55.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.961 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.65 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.83 -73.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 9.2 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.333 . . . . 74.44 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.71 63.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 65.15 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -96.71 -26.52 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -61.75 -18.74 60.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.14 111.078 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.58 -14.89 63.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 42.24 112.505 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -54.7 -26.32 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 73.25 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -28.84 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.03 110.875 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -54.72 -31.1 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 63.14 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.83 -27.51 68.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -52.12 -38.74 58.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.92 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 70.11 112.508 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.929 0.395 . . . . 61.34 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.34 -32.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 70.32 111.143 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.0 -30.4 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.37 -37.73 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.125 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.44 -53.15 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.04 110.926 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.03 -28.44 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -59.37 -46.4 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -54.92 -33.08 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.893 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.861 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 70.33 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -78.16 -32.28 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 71.11 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.6 -27.05 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.094 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.11 -26.5 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.35 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.78 -29.56 28.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -61.43 -40.05 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.938 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.28 -26.0 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.55 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.56 -26.67 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.85 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.04 2.91 55.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 70.41 110.875 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 73.35 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -29.54 24.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 71.53 111.111 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.8 -39.81 71.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.914 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 -27.91 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.101 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.46 -29.89 32.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.41 112.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.51 -31.23 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 51.5 110.863 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -75.77 -34.67 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 63.45 110.939 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -54.27 -42.26 69.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 65.54 110.944 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -53.5 -38.98 64.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 72.21 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 74.44 112.546 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.901 0.381 . . . . 62.1 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.41 -33.86 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.095 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.529 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.0 t80 -53.66 -34.92 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -24.09 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 44.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.48 -23.62 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' PHE . 13.8 p -54.15 -32.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -22.73 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.47 -40.47 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.33 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 tpp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.86 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.95 0.405 . . . . 74.43 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -26.96 49.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 65.53 110.864 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 pt -55.08 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.14 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.16 -30.7 66.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.83 -56.64 18.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.05 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.75 -26.48 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 72.02 110.904 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 48' ' ' LEU . 10.5 tt -58.63 -44.37 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.911 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.56 -37.04 73.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.901 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.25 -27.51 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.884 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.892 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.791 0.329 . . . . 54.14 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.79 -39.55 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.059 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.17 -26.26 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.82 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.14 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.16 -14.95 62.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 61.11 112.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -55.33 -25.82 36.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 65.3 110.844 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.74 -29.54 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.22 110.887 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -53.7 -30.4 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.34 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.53 -42.8 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.919 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 72.44 112.479 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.165 0 CA-C-O 120.791 0.246 . . . . 73.33 112.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.19 109.95 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -96.45 29.35 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.02 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 7' ' ' VAL . 38.1 p -79.02 -30.43 44.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.02 111.146 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -73.11 -13.35 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.851 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -73.96 -7.55 52.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.858 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 4' ' ' THR . 14.2 m -50.49 -31.23 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.131 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -51.91 -30.51 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 62.22 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.09 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.03 111.09 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.45 -38.2 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.77 -31.54 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -30.64 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.892 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -47.57 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.942 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.2 mtp 55.58 26.15 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' THR . 4.7 m-85 52.34 76.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 70.1 110.929 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -58.81 87.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.941 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.642 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 10.0 t -140.27 42.08 0.48 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.707 . . . . 73.31 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.8 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.701 2.267 . . . . 72.5 112.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.35 153.13 42.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 73.12 111.107 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD22 ' HA3' ' A' ' 24' ' ' GLY . 2.2 mt -104.02 82.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.925 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -90.7 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.842 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -88.67 -52.81 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.45 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -127.54 -50.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' HA3' HD22 ' A' ' 20' ' ' LEU . . . 90.41 -118.45 5.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.722 -0.751 . . . . 73.5 112.486 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.06 70.49 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 44.44 112.479 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -110.07 127.13 54.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 74.3 110.903 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -126.12 166.53 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.02 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -72.68 -28.24 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 52.5 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -83.53 1.54 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.863 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.03 -26.13 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 75.11 110.904 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.51 24.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.33 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.69 159.17 33.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 72.1 110.877 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.25 35.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 75.54 112.33 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -168.65 68.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.692 0.758 . . . . 74.14 110.898 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.88 63.97 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.705 2.27 . . . . 52.24 112.342 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.711 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -171.15 155.7 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 65.11 110.881 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.96 73.31 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 71.03 110.92 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 62.4 112.355 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 t -85.77 -25.67 26.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 64.2 111.141 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.82 -38.59 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -58.78 -30.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 m -91.21 46.9 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.841 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -76.25 -21.09 56.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 65.11 110.893 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.47 -32.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 71.24 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.26 -30.68 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.4 -26.67 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.42 -31.53 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 75.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.06 -35.41 78.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -29.18 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.823 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.15 -34.55 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.863 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -64.34 -44.91 90.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.35 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -125.27 70.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.111 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 -56.98 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.32 111.195 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mp -100.17 4.06 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.7 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 60.33 111.048 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -70.2 -31.34 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.902 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.18 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.109 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.41 -23.13 68.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.682 -0.771 . . . . 73.23 112.486 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.38 -44.13 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 55.01 110.877 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.55 -26.35 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.925 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -28.19 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.53 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -63.1 -30.34 71.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.34 -27.75 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.913 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.5 -28.45 28.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 60.45 112.534 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 73.53 110.908 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.782 0.243 . . . . 73.52 112.322 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -132.45 45.2 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.03 -51.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.892 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -25.31 66.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 72.13 111.145 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -52.03 -34.99 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.31 -42.6 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.44 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.35 -45.58 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.677 ' O ' HG12 ' A' ' 11' ' ' VAL . 43.5 m-85 -61.29 -31.76 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 54.03 110.898 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.84 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.02 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.92 -45.29 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.7 p -53.87 -29.7 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 43.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -62.71 -28.23 69.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -54.67 -28.53 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 71.11 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.5 ttp -72.32 85.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 53.43 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -129.75 82.35 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 75.31 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -58.85 87.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.74 -58.46 9.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.711 . . . . 52.53 111.096 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.75 169.13 19.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 64.04 112.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.38 141.8 29.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 74.35 111.146 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.18 98.97 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 61.22 110.94 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -86.63 -26.77 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.919 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.42 -27.58 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 72.12 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.01 31.38 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.67 154.1 21.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.719 . . . . 52.23 112.498 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.39 131.41 10.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 51.23 112.498 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -100.85 169.56 8.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 65.22 110.877 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.95 119.85 21.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.912 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -66.49 -25.64 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.881 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.647 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.8 m -79.07 -30.23 43.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 61.25 110.816 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.65 -21.99 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.1 pt -100.34 24.55 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.55 111.069 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -80.37 154.93 74.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 54.54 110.89 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' N ' HD12 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 106.31 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 73.52 112.347 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -124.81 70.36 58.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 60.41 110.851 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.23 9.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 70.43 112.358 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.89 175.57 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -106.33 160.67 25.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.531 0.681 . . . . 65.53 110.952 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 127.16 14.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.714 2.276 . . . . 73.51 112.353 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -81.17 -25.63 36.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 54.21 111.128 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -56.88 -24.29 50.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.58 -37.91 76.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.858 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -65.46 93.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -78.03 -30.06 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.93 -44.92 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 63.13 111.123 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -56.11 -27.73 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.862 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -87.5 -30.79 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 70.32 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.16 -18.95 60.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.913 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.71 -16.15 62.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.45 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -54.78 -26.59 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.888 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -57.89 -27.48 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.92 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.62 36.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 71.54 110.887 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 52' ' ' VAL . 6.7 p -101.12 23.86 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 55.42 111.104 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -76.95 -28.72 55.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 42.11 111.117 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.63 -29.29 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.87 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.95 68.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.114 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.78 -32.6 14.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.0 -18.84 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.88 -14.97 64.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 51.03 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.71 -30.24 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 73.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -54.03 -27.91 35.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.873 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -31.46 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -66.68 -34.81 78.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 64.15 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -74.09 -40.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.924 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.5 141.81 10.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 65.41 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 72.25 110.892 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.754 0.231 . . . . 72.14 112.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 61.84 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.868 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -113.22 -35.72 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -56.17 -31.32 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -61.12 -26.37 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.73 63.44 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.6 t -50.41 -32.38 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 62.43 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 11' ' ' VAL . 31.1 m-85 -55.7 -36.71 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.925 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.39 26.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.79 -29.39 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.9 p -52.46 -29.18 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.11 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.99 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 54.22 110.951 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -54.58 -27.44 38.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.94 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -52.5 -44.26 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -109.69 72.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.912 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -55.2 -25.38 32.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 70.24 110.926 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.617 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER 65.08 42.58 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.519 0.676 . . . . 74.53 111.143 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.1 Cg_endo -69.84 133.94 26.61 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 74.52 112.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -109.14 74.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 60.12 111.134 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.16 95.91 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.967 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.929 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -53.02 -30.2 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.66 27.23 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.06 -151.13 6.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 72.43 112.512 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 122.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.745 . . . . 73.35 112.485 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -118.31 122.26 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 64.51 110.851 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -123.54 33.54 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.848 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.0 -26.68 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.935 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -52.84 -37.23 59.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 71.2 110.85 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -54.27 -39.41 66.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.834 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 31' ' ' ILE . 8.7 mm -99.16 24.42 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 54.4 111.143 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.49 71.58 71.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 72.43 110.952 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 176.17 7.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 64.04 112.342 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -155.82 69.15 5.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 70.44 110.888 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.68 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 65.22 112.339 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -124.54 102.12 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 74.35 110.912 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -139.95 68.56 35.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 73.1 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.244 . . . . 44.42 112.356 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -25.63 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.129 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.15 -27.65 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.844 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 44' ' ' ILE . 17.0 ttp180 -100.69 7.45 43.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.89 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t -70.78 -25.75 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.823 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -52.05 -30.29 24.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 41' ' ' ARG . 10.4 tp -51.84 -30.09 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.125 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.08 -30.63 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.35 -54.68 28.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 70.53 110.81 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.94 -38.79 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.915 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.43 -31.23 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.886 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.92 -46.7 86.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -58.39 -29.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HA ' HD23 ' A' ' 54' ' ' LEU . 8.7 ttmt -55.94 -26.49 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.895 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.34 -35.38 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 73.15 111.137 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 p -60.2 -40.4 89.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 60.24 111.17 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 51' ' ' LYS . 1.7 pp -54.92 -26.8 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 61.04 110.878 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -27.26 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 62.42 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -53.5 -28.66 32.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.67 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.23 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.16 -23.79 48.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 61.14 112.507 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.0 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 74.22 110.841 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.01 -37.42 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.869 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -65.34 -45.7 83.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.948 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -59.8 -28.05 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.922 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -93.6 16.19 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.915 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.92 109.48 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.22 112.477 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 70.22 110.905 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.794 0.248 . . . . 71.15 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.29 -72.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.878 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -80.29 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 m -72.04 -46.37 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 61.13 111.127 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HB3' HG23 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -52.76 -29.83 29.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.882 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 12.4 pt-20 39.41 41.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.927 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 5' ' ' ARG . 64.7 t -50.39 -34.05 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.43 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 11' ' ' VAL . 59.5 t80 -70.94 -38.29 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -76.26 -25.26 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 61.14 111.111 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -55.27 -26.44 40.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.7 m -52.89 -28.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.03 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.01 -45.76 66.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 62.03 110.89 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -54.79 -36.53 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 tpt -53.75 148.27 10.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -96.66 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.899 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -58.8 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.33 110.923 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.3 m -139.27 42.11 0.52 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 72.12 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.1 Cg_endo -69.73 82.2 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 70.14 112.352 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -141.3 138.74 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 74.3 111.152 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 tp -127.25 81.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -88.13 8.82 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.889 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.49 -26.26 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.42 110.946 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -71.55 -31.19 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 52.02 110.868 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.1 6.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 73.51 112.482 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.76 41.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 64.42 112.556 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -101.41 141.16 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 74.14 110.9 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -124.58 80.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.55 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 31' ' ' ILE . 29.6 p90 -65.04 -25.17 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 63.14 110.887 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 m -75.22 -23.11 57.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 72.04 110.853 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -55.62 -31.39 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.477 HG23 HD22 ' A' ' 32' ' ' LEU . 11.1 tt -94.79 23.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.084 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD22 HG23 ' A' ' 31' ' ' ILE . 3.9 mm? -125.02 73.52 65.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 75.4 110.922 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 176.58 6.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.271 . . . . 53.41 112.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -174.67 73.17 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.697 0.761 . . . . 65.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.43 62.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 72.25 112.351 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -170.91 88.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -156.35 72.15 5.0 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 72.21 110.874 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 85.69 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.647 2.231 . . . . 45.23 112.311 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p -86.0 2.01 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 61.54 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -62.58 -26.59 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.03 110.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -88.17 7.43 31.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 52.2 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -92.43 -27.61 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 52.53 110.879 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -55.66 -30.6 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.876 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 47' ' ' LEU . 40.9 pt -80.52 -25.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 71.34 111.124 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.44 -26.27 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.12 110.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.21 -26.66 40.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 51.21 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -56.12 -25.48 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.76 -21.9 56.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.933 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' O ' HG13 ' A' ' 52' ' ' VAL . 8.6 m-85 -57.12 -23.93 50.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 74.5 110.901 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -73.53 -20.98 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 62.2 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -94.92 37.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.2 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 49' ' ' PHE . 18.6 m -106.67 25.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.135 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 t -83.94 -29.46 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.43 111.166 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.14 -26.07 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.25 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 45.3 111.128 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.98 -29.95 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.38 -53.52 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.14 -19.69 68.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 72.52 112.504 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.43 -28.25 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 75.54 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.9 ttm -83.51 -26.98 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.34 -31.74 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 52.44 110.94 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -51.96 -31.97 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.971 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.86 -40.17 75.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.937 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.6 105.81 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 41.43 112.499 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 71.43 110.881 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.781 0.242 . . . . 72.53 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -146.11 133.01 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.892 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -130.78 150.98 51.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.51 110.848 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 7' ' ' VAL . 3.1 p -73.45 -25.39 60.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 45.53 111.181 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -56.41 -26.3 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.852 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -91.13 46.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 4' ' ' THR . 35.6 m -50.47 -31.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.53 111.1 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.09 -29.01 28.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -28.23 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 73.44 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.55 -32.13 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -55.68 -58.49 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.31 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -52.22 -33.75 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.864 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.84 -38.95 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.904 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtm -108.74 -74.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.89 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 53.16 29.2 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.899 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.81 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.915 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 41.3 p -142.41 42.08 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 55.01 111.162 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.2 Cg_endo -69.75 -173.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.645 2.23 . . . . 75.01 112.377 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.7 p 49.97 42.46 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.32 111.134 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.9 pp -95.46 23.93 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.914 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -21.62 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.854 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.32 -48.42 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 71.41 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -96.16 29.59 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.11 110.844 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.4 101.27 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 74.31 112.476 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.21 151.96 11.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 63.35 112.542 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -123.48 145.12 49.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 71.55 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.65 59.19 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.1 110.91 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' HG22 ' A' ' 31' ' ' ILE . 14.6 t80 -72.23 -26.09 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 74.42 110.927 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -57.46 -23.78 51.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 73.04 110.878 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.52 -19.8 58.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 28' ' ' PHE . 17.7 tt -59.48 -30.93 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.45 111.158 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tp -158.3 138.89 9.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.584 0.707 . . . . 72.12 110.926 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 111.23 2.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 72.35 112.325 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -112.87 160.59 30.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 71.44 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.91 15.56 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 73.15 112.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -141.45 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 64.33 110.87 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -144.5 159.16 52.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 73.31 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.09 19.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 73.5 112.336 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -73.69 -30.55 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.121 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -65.83 -24.97 67.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.894 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.33 7.43 35.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.853 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 44' ' ' ILE . 1.5 p -126.97 148.17 50.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.887 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -71.86 -23.01 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 42' ' ' SER . 14.2 tt -52.03 -29.36 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 61.1 111.137 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' HD22 ' A' ' 48' ' ' LEU . 10.6 pt-20 -55.16 -28.38 52.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.16 -17.29 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 63.23 110.899 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.92 -19.02 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -60.47 -18.62 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 44.13 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.6 m-85 -73.82 -47.56 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.921 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.51 -24.13 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 33.3 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -54.24 -27.45 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.914 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.63 HG22 ' H ' ' A' ' 54' ' ' LEU . 10.7 p -68.39 139.02 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.1 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -28.14 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.63 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.7 tp -54.56 -27.28 37.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.878 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.57 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.42 111.102 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.25 -26.62 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -53.4 -29.72 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 44.41 111.068 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.43 -34.26 57.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 53.51 112.475 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.27 -28.57 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 74.25 110.871 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 ttt -75.28 -28.59 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.833 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -69.92 -45.76 66.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.93 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -71.75 -29.34 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -68.55 -27.08 65.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.13 110.94 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.19 120.25 6.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 64.13 112.485 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 54.32 110.933 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.753 0.231 . . . . 64.44 112.374 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -115.6 31.91 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.884 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.42 92.92 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 60.11 110.853 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -73.91 -25.79 60.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.3 111.14 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.26 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.845 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 52.14 51.13 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.37 -35.05 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -32.49 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.08 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -53.51 -54.44 37.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 72.41 110.936 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -82.04 -29.3 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.106 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -26.03 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -54.83 -26.93 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.934 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mmm -52.14 153.35 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -113.68 26.69 10.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 62.04 110.908 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -58.56 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.627 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 62.6 p -137.54 42.11 0.6 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.56 0.695 . . . . 75.22 111.116 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.3 Cg_endo -69.79 -48.22 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 65.33 112.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m 51.73 45.0 28.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 65.03 111.173 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.9 26.61 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 61.54 110.927 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -87.32 -44.83 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.939 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -56.73 -26.37 56.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 73.04 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -71.97 -31.51 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 72.13 110.853 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.85 174.62 28.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 73.2 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 93.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 61.21 112.492 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -122.43 173.93 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 75.35 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.76 107.4 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.838 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -79.91 -25.74 40.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -52.02 -33.07 36.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 61.21 110.891 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.06 -36.56 66.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 62.35 110.927 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.8 -29.22 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 65.14 111.124 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -124.84 68.63 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 64.0 110.936 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -178.97 2.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.661 2.241 . . . . 65.02 112.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.18 160.49 35.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 73.21 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -46.92 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 63.35 112.38 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt 52.49 44.73 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.906 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -155.95 70.8 5.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 70.41 110.89 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 74.45 112.368 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 p -79.82 -15.69 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.12 111.138 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -11.99 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 61.15 110.906 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -20.11 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 61.34 110.908 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -87.41 103.33 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.894 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.89 -29.74 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.2 110.884 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.8 tt -56.6 -29.68 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 63.12 111.091 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.16 -45.57 92.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -37.63 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.93 -33.4 70.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.03 -33.1 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -55.95 -46.7 78.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.844 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.5 -23.53 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 51.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -95.08 37.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.24 110.903 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 52' ' ' VAL . 9.9 p -84.72 3.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 64.53 111.128 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -58.32 -22.25 52.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.165 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.82 -20.46 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.954 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.24 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 53.45 111.075 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.71 -42.48 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.45 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.55 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.15 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.52 -16.39 50.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 65.25 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -16.77 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.31 110.898 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 84.8 mtp -61.78 -16.66 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 60.41 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -17.32 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.65 -11.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 63.52 110.915 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.14 -26.12 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.02 110.937 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 169.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 72.43 112.524 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 40.4 110.884 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.82 0.258 . . . . 73.52 112.388 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 26.39 14.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 62.24 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -98.31 29.07 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -76.73 -25.62 53.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 64.31 111.191 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -78.01 -27.77 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -84.75 -51.42 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -50.36 -32.46 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.24 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' VAL . 57.5 t80 -52.84 -31.39 38.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.2 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.102 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -52.16 -30.59 27.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.3 m -54.48 -22.0 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.107 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.14 -15.8 57.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 61.31 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -22.68 21.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.937 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -53.88 122.02 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.9 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.47 27.08 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 75.4 110.912 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -58.78 87.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.637 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 75.1 p -138.48 42.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 74.35 111.142 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.3 Cg_endo -69.81 87.47 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.678 2.252 . . . . 71.12 112.356 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.54 40.97 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.116 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 pp -116.42 26.67 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -29.29 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.91 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -53.64 -28.7 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 54.2 110.895 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -95.83 31.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.09 94.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.01 112.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.39 59.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 71.51 112.531 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -86.68 134.84 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 71.43 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -100.1 -27.01 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -80.11 -23.42 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.843 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 p -51.91 -43.79 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 53.13 110.861 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.45 -26.0 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' ILE . 5.8 mt -96.16 24.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.05 73.32 78.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 70.55 110.956 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.11 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 72.15 112.405 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m 54.33 70.92 1.49 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.668 0.747 . . . . 60.13 110.874 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.69 14.19 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.697 2.265 . . . . 74.24 112.382 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.1 tp -150.05 100.79 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.89 72.87 1.08 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.595 0.712 . . . . 74.3 110.959 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 152.77 69.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 73.4 112.364 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.418 HG23 ' OE2' ' A' ' 45' ' ' GLU . 8.6 t -86.07 -14.22 44.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.12 111.159 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.12 -28.43 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 53.14 110.906 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.67 -26.25 63.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.868 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -102.97 122.21 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 63.31 110.79 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.82 -26.44 49.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 62.12 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 pt -52.86 -28.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 64.3 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' OE2' HG23 ' A' ' 39' ' ' THR . 17.3 pt-20 -52.06 -30.41 25.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 51.33 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.92 -28.54 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 52.11 110.865 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.9 -30.43 44.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 48' ' ' LEU . 9.6 tt -69.51 -32.08 70.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.929 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.67 -26.7 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.838 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -87.74 -26.24 23.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 37.02 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.891 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 52' ' ' VAL . 6.4 m -57.09 108.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 63.25 111.156 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -86.41 -32.82 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 51.43 111.183 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.02 -27.59 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.945 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.77 -30.18 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.33 111.14 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -58.38 -35.22 71.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.33 110.883 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.82 -25.2 60.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.161 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.0 45.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 35.11 112.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.39 -34.16 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 72.42 110.88 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -68.09 -42.57 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.61 -26.08 65.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.891 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -53.12 -29.58 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.921 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.36 -46.33 90.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 72.02 110.912 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.5 85.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.42 112.492 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 73.11 110.878 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.761 0.234 . . . . 71.25 112.37 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -101.1 104.79 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 62.52 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -107.63 110.38 22.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.498 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . 73.0 p -73.02 -22.73 60.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 31.04 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -58.41 -25.3 61.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.885 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.43 139.38 58.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.84 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -50.37 -58.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.12 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.564 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.3 p90 -56.05 -27.16 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.869 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' A' ' 4' ' ' THR . . . -76.27 -24.83 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.083 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -51.6 -30.57 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 73.51 110.928 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 8' ' ' PHE . 32.4 m -53.81 -30.1 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.103 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -57.38 -25.88 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.891 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -54.64 -27.17 37.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.5 ptp -52.14 136.83 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 -43.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 72.12 110.95 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -54.82 -58.45 14.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 65.41 111.161 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.5 Cg_endo -69.78 138.55 38.01 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 72.01 112.336 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 t -143.58 137.89 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.119 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.1 mt -118.41 -171.51 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.906 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.83 7.72 29.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 54.3 110.901 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -52.62 -30.46 31.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.943 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.05 -29.0 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 70.23 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.55 -151.45 17.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 61.21 112.479 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.39 26.39 1.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 73.13 112.505 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -80.56 164.17 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 74.34 110.907 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.09 144.54 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.906 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.29 -26.21 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.833 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.4 p -69.38 -12.61 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.826 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -54.72 -26.13 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.957 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' O ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -59.62 -26.05 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.171 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.8 mt -114.09 73.63 2.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 62.11 110.926 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 161.27 46.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.648 2.232 . . . . 72.5 112.328 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.28 160.53 52.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 72.2 110.885 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.17 64.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.25 . . . . 72.12 112.359 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.9 pp -172.71 148.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 54.2 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -177.99 73.3 0.22 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.706 . . . . 72.32 110.933 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.78 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 65.13 112.352 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -57.42 -26.13 60.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.44 111.2 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -52.04 -31.93 32.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.949 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -70.51 -41.12 73.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.878 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p 52.19 29.98 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 63.4 110.885 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.28 -38.93 85.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 71.43 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -83.23 -25.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 51.02 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.45 -14.63 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.04 110.838 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -50.79 -55.19 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.794 HD13 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.92 -12.56 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.958 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.573 ' N ' HD22 ' A' ' 47' ' ' LEU . 8.0 tp -80.87 -20.54 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 52' ' ' VAL . 34.4 t80 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.86 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.6 -26.37 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -96.06 27.74 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.863 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 49' ' ' PHE . 34.4 m -75.1 -26.34 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.155 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -38.34 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.43 111.107 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.7 -34.79 78.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.903 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.54 -26.9 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.01 111.102 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.84 -37.13 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 61.01 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.53 -30.67 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 73.22 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.62 99.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.33 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.93 -34.88 78.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 65.2 110.909 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttm -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 41.21 110.88 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -78.64 -35.39 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -66.83 -49.18 66.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -77.03 -38.79 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.928 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.33 135.46 2.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 73.41 112.499 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 75.11 110.834 -179.832 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.774 0.239 . . . . 54.04 112.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.48 85.87 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.52 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -122.51 32.63 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.908 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.55 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.8 t -60.85 -25.96 67.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.31 111.133 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -26.13 44.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.08 -31.31 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 4' ' ' THR . 14.8 p -50.43 -31.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.22 111.167 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 11' ' ' VAL . 49.8 t80 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -25.14 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 63.32 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.65 -31.74 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.01 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 8' ' ' PHE . 19.9 m -52.02 -29.94 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.11 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -55.11 -26.77 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 51.33 110.897 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -54.84 -46.33 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 55.44 110.894 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.1 mtm 55.22 58.07 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.12 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' O ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -100.9 26.56 6.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 70.21 110.895 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -58.81 87.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.644 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.8 t -138.3 42.12 0.57 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 74.24 111.122 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.74 80.96 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 70.51 112.356 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -144.96 152.74 40.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.115 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 mt -144.66 110.06 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.897 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -82.84 -27.53 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.902 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.64 -26.71 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -109.12 32.07 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.17 156.92 21.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 70.34 112.506 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.0 97.42 2.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.489 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -111.31 148.34 33.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 74.34 110.916 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -144.28 83.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.15 110.907 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -80.27 -26.62 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.868 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 t -84.43 -19.95 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.848 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -24.06 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 61.52 110.944 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.56 -24.05 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 62.41 111.146 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.3 mt -134.46 159.21 73.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 54.34 110.877 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.68 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.224 . . . . 62.03 112.377 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER 178.72 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 54.11 110.845 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 53.8 Cg_endo -69.71 -171.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 71.52 112.359 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp 57.32 75.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.33 110.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -153.9 69.69 6.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 65.43 110.923 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 81.26 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 63.23 112.387 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 t -80.04 -25.24 40.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.123 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -58.59 -32.19 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.914 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -70.79 -28.72 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -90.39 48.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.854 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.68 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 47' ' ' LEU . 9.3 tp -52.51 -29.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.22 111.127 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.3 -31.67 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.34 -44.73 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 72.55 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 44' ' ' ILE . 19.2 tp -54.49 -29.81 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.9 tt -65.99 -42.25 90.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -57.92 -27.98 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -92.89 -34.19 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.879 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -34.82 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.88 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.92 -31.25 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 64.4 111.122 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.4 m -60.32 -32.06 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.126 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.52 -28.96 17.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.949 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -26.77 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.12 111.103 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.09 -27.91 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 63.34 110.848 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.14 -25.36 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.11 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.39 64.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 61.21 112.514 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -61.96 -33.16 73.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 43.24 110.874 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtt -77.7 -32.66 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -28.23 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -59.45 -39.6 84.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 52.51 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -65.46 -41.21 93.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.902 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.16 -146.68 13.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.498 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 74.12 110.875 -179.859 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.771 0.238 . . . . 64.43 112.349 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -66.45 -63.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 63.13 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -116.96 81.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.596 ' O ' HG13 ' A' ' 7' ' ' VAL . 68.1 p -79.11 -18.0 54.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 72.42 111.117 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -73.51 -11.65 60.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.871 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.33 -9.14 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 61.12 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 4' ' ' THR . 18.8 m -50.5 -30.31 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.41 111.108 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -51.64 -30.59 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.46 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.088 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.81 -32.02 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.902 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.68 -27.63 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.45 111.127 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -68.11 -26.53 65.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -54.97 -30.23 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 64.4 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ptm -118.65 119.36 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.927 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.41 83.57 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.924 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 87.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 70.24 110.9 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.637 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 p -145.68 42.15 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 61.42 111.135 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.1 Cg_endo -69.72 143.15 50.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.672 2.248 . . . . 54.21 112.356 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.618 ' C ' HD13 ' A' ' 20' ' ' LEU . 19.9 p -128.12 148.05 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.098 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -156.25 27.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.961 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -59.83 -31.04 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -57.42 -27.44 62.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 62.03 110.933 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -96.39 31.11 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.01 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.26 -168.08 29.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 72.3 112.461 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.83 157.65 11.79 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.714 -0.755 . . . . 51.12 112.478 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -123.51 165.41 17.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 61.44 110.861 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.47 91.99 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.42 110.915 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.44 -26.35 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.852 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -55.03 -31.6 61.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.839 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.55 -27.88 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 72.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG22 HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.51 -26.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 31.33 111.123 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 HG22 ' A' ' 31' ' ' ILE . 2.3 mp -80.59 160.64 66.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.578 0.704 . . . . 61.24 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 71.32 112.336 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 t -168.66 72.01 0.79 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 45.23 110.835 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -171.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.642 2.228 . . . . 64.32 112.393 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD23 ' HD3' ' A' ' 38' ' ' PRO . 2.0 tt -166.91 117.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 61.35 110.896 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -169.24 71.76 0.71 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.535 0.683 . . . . 71.34 110.894 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HD3' HD23 ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.83 152.96 69.08 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.654 2.236 . . . . 73.03 112.32 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 p -84.29 2.06 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.102 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -63.07 -26.1 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 63.02 110.936 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -58.57 -25.99 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.899 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p 51.77 38.28 22.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.836 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.46 -27.92 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.677 ' O ' HD23 ' A' ' 47' ' ' LEU . 76.2 mt -67.87 -29.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.35 111.092 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' HD13 ' A' ' 48' ' ' LEU . 43.2 mm-40 -85.64 -17.58 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -57.61 -23.31 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.873 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 44' ' ' ILE . 1.4 pp -60.78 -19.03 58.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.895 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 45' ' ' GLU . 8.4 mp -63.73 -16.29 60.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -58.55 -22.17 54.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.39 -12.58 59.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.921 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -94.47 37.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.942 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.601 HG12 ' H ' ' A' ' 54' ' ' LEU . 40.5 t -51.36 143.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 64.25 111.145 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -51.36 -30.1 17.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 63.21 111.156 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -89.75 -27.85 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.35 110.941 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.15 111.12 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.17 -30.1 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.18 -28.12 38.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.47 -22.42 56.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.11 112.484 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.88 -26.38 58.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 70.11 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -52.6 -33.2 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.858 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -54.63 -29.6 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 61.24 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.98 -42.34 98.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.95 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -52.25 -30.01 25.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.946 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.14 78.52 0.98 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.44 112.508 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 75.23 110.894 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.768 0.237 . . . . 65.15 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -107.79 108.53 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.883 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -149.88 -178.97 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.866 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.2 m -66.16 -25.19 66.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 62.42 111.138 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -52.07 -30.9 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.85 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.75 95.17 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.913 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.41 -31.44 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 84.1 m-85 -53.53 -38.43 63.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 65.5 110.884 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.42 60.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 60.32 111.12 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.5 -26.22 41.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.9 p -53.05 -30.71 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 71.54 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -32.42 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.876 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.87 -34.03 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.15 96.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' O ' HG22 ' A' ' 17' ' ' THR . 3.5 t80 -127.28 -46.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.4 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -58.86 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.41 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t -137.94 42.1 0.58 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 74.21 111.14 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.75 -171.17 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 44.41 112.356 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -51.86 113.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 65.31 111.162 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.95 -48.83 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.31 110.928 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -88.05 8.59 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.909 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -77.87 -3.69 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -71.55 -28.89 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.829 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 105.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 54.24 112.549 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.37 -25.67 25.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 43.44 112.435 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -99.74 171.18 8.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.918 0.39 . . . . 65.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 52.18 36.34 18.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 71.23 110.843 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -79.2 -26.39 42.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -84.34 2.52 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 72.14 110.851 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.07 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 75.3 110.943 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.15 -25.59 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.04 111.149 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mp -80.48 160.71 66.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 70.24 110.919 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.83 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.763 2.308 . . . . 74.03 112.308 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 179.6 -61.03 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 73.14 110.852 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 34' ' ' SER . 53.4 Cg_endo -69.82 175.35 8.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.612 2.208 . . . . 64.32 112.341 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.61 179.02 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.929 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -170.67 73.36 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 43.02 110.903 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.79 6.68 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 50.5 112.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 t -83.04 -28.97 29.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.144 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -53.14 -33.32 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -67.34 -33.63 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 70.22 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 t -59.99 114.47 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 61.5 110.868 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -72.09 -27.69 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.83 -31.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.36 -35.58 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.27 -26.41 38.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -26.14 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 71.53 110.939 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.01 -25.3 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.922 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.59 -26.02 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 60.4 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -52.53 -29.54 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.903 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -95.66 34.59 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.914 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 p -86.59 -27.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 64.34 111.153 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -56.45 -25.23 50.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 70.41 111.192 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.0 tp -52.49 -29.94 27.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.927 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.05 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.02 111.094 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.18 -32.92 74.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.33 36.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 51.13 111.1 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.14 -26.03 48.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 43.42 112.522 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.34 -29.87 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 73.41 110.909 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -57.5 -30.21 64.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 70.33 110.846 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -57.19 -43.99 83.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.03 -55.07 39.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 61.12 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.38 -26.29 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.908 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.52 -98.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 74.4 112.49 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 73.35 110.896 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.808 0.253 . . . . 75.44 112.359 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.58 158.8 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -109.5 88.39 2.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.889 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -79.19 -21.01 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 61.5 111.141 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.31 -25.27 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.13 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.5 -7.38 52.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.881 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 p -50.57 -30.42 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.136 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.6 p90 -54.33 -30.89 52.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.85 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.99 -20.93 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.1 111.109 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.03 -21.9 50.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 64.32 110.894 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 8' ' ' PHE . 17.0 m -51.42 -30.03 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.125 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -33.32 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 55.34 110.954 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -55.05 -36.68 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm -134.75 108.23 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -114.44 -30.6 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -58.81 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.43 110.897 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.631 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.9 m -139.47 42.15 0.52 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.58 0.705 . . . . 74.32 111.105 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.8 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 54.44 112.373 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -132.68 125.69 30.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 63.52 111.093 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -106.38 -55.81 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.879 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -84.7 -28.17 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.903 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -30.59 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -96.44 30.02 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 62.14 110.908 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.77 148.29 16.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 72.34 112.481 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.98 101.2 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 71.11 112.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.68 136.92 55.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.42 110.849 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -124.84 134.18 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 64.31 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.62 -26.4 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -81.53 -11.85 59.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.14 110.857 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.33 -27.16 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 62.01 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.54 -30.36 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.04 111.121 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tp -140.78 73.75 27.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 71.43 110.942 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -85.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 51.32 112.314 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 t -169.51 72.84 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 70.24 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 140.32 42.23 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 72.55 112.314 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 37' ' ' LYS . 1.1 tt -155.46 142.69 19.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.917 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' HD23 ' A' ' 36' ' ' LEU . 8.5 pttm -147.22 157.64 45.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 75.13 110.88 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 141.35 44.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 62.22 112.317 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -84.0 -25.2 30.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.14 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -54.06 -31.03 50.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.892 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 44' ' ' ILE . 7.3 ttp85 -75.44 -30.06 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.852 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -62.22 -25.1 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.886 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -52.33 -29.62 24.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 71.23 110.886 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 41' ' ' ARG . 16.9 tt -51.58 -30.09 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 51.22 111.165 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -52.91 -30.17 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 60.24 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.39 -26.38 52.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.897 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.32 -18.87 60.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 63.33 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -64.31 -16.03 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.3 p90 -57.73 -23.03 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.906 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.24 -20.07 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.35 110.878 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.85 37.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.936 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 49' ' ' PHE . 12.8 m -51.32 137.62 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.15 111.166 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -86.59 -25.59 24.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 60.12 111.125 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.85 -31.34 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.42 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.1 60.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.135 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.89 -26.8 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 64.31 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.43 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 53.22 111.097 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.36 -24.7 52.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 45.31 112.495 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.86 -26.74 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 71.14 110.905 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.7 ptm -52.52 -30.88 32.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.827 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -52.12 -34.81 46.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 74.02 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.63 -42.14 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 64.04 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.17 -65.05 3.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 63.02 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 72.12 110.924 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.838 0.266 . . . . 71.22 112.361 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.18 169.42 23.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.875 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.62 27.2 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.1 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -57.85 -33.75 68.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -84.33 -28.72 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.45 110.887 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.44 55.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 52.01 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.43 -32.03 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.091 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.559 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.4 t80 -52.22 -29.97 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.874 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.24 36.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 63.25 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.12 -29.06 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.03 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.1 m -52.64 -28.97 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.149 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -55.88 -26.91 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.934 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.71 -27.22 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttt -84.06 106.13 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.906 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -120.89 42.68 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.55 110.915 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -55.28 -25.31 33.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.895 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.627 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 65.1 42.59 0.36 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 64.52 111.102 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.8 Cg_endo -69.73 86.57 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.756 2.304 . . . . 61.55 112.321 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -142.01 73.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.02 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -87.5 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -87.87 7.76 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.922 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -68.36 -27.53 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.916 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -72.92 -29.65 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.23 110.856 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.6 98.66 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 44.45 112.468 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.2 119.63 0.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 62.15 112.465 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.53 169.4 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 61.24 110.934 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -123.08 36.42 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.81 -44.78 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -84.35 2.62 39.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.1 110.851 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -26.56 61.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.14 110.911 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.9 pt -123.23 24.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.116 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tp -80.79 138.9 50.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.567 0.699 . . . . 55.34 110.954 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -85.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.713 2.276 . . . . 62.55 112.325 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t 57.31 72.13 0.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.715 0.769 . . . . 70.42 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -177.38 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 52.31 112.334 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -114.36 152.19 31.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.31 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -174.19 73.38 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 74.52 110.908 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.15 66.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 72.14 112.369 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -21.91 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 63.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -59.32 -22.34 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.01 7.45 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.852 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.2 m -63.65 124.44 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 52.5 110.84 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.23 -28.09 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 63.31 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' HA ' HD23 ' A' ' 47' ' ' LEU . 65.3 mt -60.91 -48.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 71.45 111.128 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.69 -15.56 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 51.44 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -85.63 -35.18 21.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 44' ' ' ILE . 1.1 pp -53.93 -29.41 42.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.897 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.28 -30.9 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.896 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -71.28 -40.94 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -47.83 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -66.7 -28.09 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 70.14 110.911 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t 61.67 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 75.2 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -68.35 -25.67 65.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 71.33 111.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -53.85 -28.52 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.53 110.936 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.97 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 33.54 111.099 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.71 -39.26 70.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 43.25 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.49 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 54.15 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.1 30.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 71.21 112.501 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.51 -30.66 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 65.21 110.876 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.07 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.01 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.23 -26.39 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.15 -33.45 40.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.937 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 133.93 52.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 71.44 112.495 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 64.41 110.862 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.788 0.245 . . . . 54.01 112.351 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -88.27 100.46 13.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 74.32 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.08 143.41 48.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 60.43 110.885 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 m -76.02 -32.68 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 61.04 111.118 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -84.24 -46.06 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 64.05 110.876 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -99.99 61.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.55 110.878 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.6 -30.94 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.14 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 11' ' ' VAL . 64.8 m-85 -54.11 -30.65 49.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.845 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.51 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -53.44 -32.79 51.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.883 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' PHE . 18.0 m -69.32 -30.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.3 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -65.41 -28.37 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 61.32 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.86 -27.56 43.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -95.53 -41.04 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.886 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -114.29 82.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 73.11 110.975 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -25.4 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.34 110.857 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.634 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 65.07 42.6 0.36 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.594 0.711 . . . . 74.1 111.135 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.78 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 50.32 112.345 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -116.91 117.09 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 65.34 111.144 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.91 41.51 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.15 110.886 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -88.08 8.76 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.871 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -55.81 -24.6 37.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 73.21 110.903 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -71.61 -26.62 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 61.3 110.852 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.88 71.76 2.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 60.14 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.41 91.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 31.12 112.503 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.64 144.82 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 72.44 110.862 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.23 139.03 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -80.06 -27.65 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 61.3 110.883 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -84.46 3.04 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 70.33 110.814 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -96.21 -31.01 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.31 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tp -91.2 -30.45 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.175 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -96.0 160.66 29.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 73.13 110.888 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.437 ' HD2' HD23 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.73 124.46 11.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 64.21 112.328 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 160.4 46.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.701 0.762 . . . . 63.24 110.83 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.637 2.225 . . . . 74.35 112.358 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mt -103.03 129.53 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.44 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 153.72 77.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.577 0.703 . . . . 62.22 110.911 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.77 32.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 72.32 112.363 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.91 2.04 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 53.13 111.105 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -78.48 -55.79 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.892 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -92.25 7.41 42.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -77.04 83.15 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.849 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -70.96 -26.4 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 63.45 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.8 HG22 HD23 ' A' ' 47' ' ' LEU . 3.8 mp -52.7 -31.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.145 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -55.19 -26.44 39.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.875 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.68 -20.99 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 62.4 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 44' ' ' ILE . 1.7 pp -60.99 -18.83 59.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.933 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.72 -16.01 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 65.25 110.893 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -20.3 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.855 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' HA ' HG23 ' A' ' 53' ' ' THR . 49.5 t30 -85.7 2.95 43.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.924 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -58.25 -36.85 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.35 110.879 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.678 HG13 ' CA ' ' A' ' 57' ' ' ALA . 95.2 t -151.87 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.136 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 50' ' ' ASN . 2.2 p -88.66 -79.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.01 111.13 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -109.59 -75.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.875 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.22 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.14 111.102 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -27.98 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' CA ' HG13 ' A' ' 52' ' ' VAL . . . -51.5 -32.57 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 53.14 111.158 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.13 -28.79 55.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 72.31 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.78 -26.85 67.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 63.11 110.892 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.2 tpp -56.0 -26.34 48.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.928 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -65.79 -18.78 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.04 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -6.04 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.914 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -51.83 -30.28 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.943 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.51 -97.43 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 64.2 112.48 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 72.54 110.896 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.413 ' H2 ' ' H ' ' A' ' 2' ' ' ARG . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.768 0.237 . . . . 74.11 112.341 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.413 ' H ' ' H2 ' ' A' ' 1' ' ' PRO . 82.7 mtt180 -116.07 -54.52 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.928 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -117.41 26.71 9.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.844 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -75.62 -40.53 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 60.42 111.143 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -53.2 -41.67 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.902 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 53.97 46.3 25.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.862 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.43 -31.45 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.44 -42.75 83.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 72.13 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.84 -29.02 61.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 65.23 111.05 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.05 -28.01 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.81 -36.66 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 71.13 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -75.81 -33.08 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 65.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -54.81 -34.99 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.3 mtt -90.45 64.4 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 62.21 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -127.57 29.27 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.21 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -58.9 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 37.9 p -139.74 42.09 0.5 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.605 0.716 . . . . 74.14 111.149 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.79 86.58 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 74.45 112.358 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -151.04 114.04 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 62.01 111.145 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.95 120.61 41.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.922 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.94 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.877 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -52.73 -32.98 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.925 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -73.12 -39.4 65.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 73.4 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.43 -157.65 28.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 53.04 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.48 160.24 9.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 43.43 112.472 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -108.18 162.49 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 64.15 110.865 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -111.29 143.88 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 43.03 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -72.31 -27.36 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -53.27 -33.93 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.824 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -62.49 -35.1 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 61.24 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.61 -42.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.122 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.57 159.63 13.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.544 0.688 . . . . 70.24 110.964 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -85.73 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.72 2.28 . . . . 75.14 112.333 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 p -177.88 69.24 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 71.31 110.866 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 74.34 112.307 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -96.77 117.82 31.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.927 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 136.22 22.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 73.53 110.868 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.1 3.59 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.668 2.246 . . . . 72.31 112.352 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -74.56 -25.22 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.164 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -62.78 -27.27 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.903 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -89.21 7.37 35.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -53.2 130.15 33.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 53.31 110.824 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.57 -30.37 52.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 pt -56.24 -25.14 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.12 111.151 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.3 -30.49 64.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.925 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -34.57 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.891 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -42.03 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 61.13 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mp -55.63 -41.64 73.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.948 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -80.11 -30.95 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 63.41 110.865 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -65.61 -26.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -96.1 36.28 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.86 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 54' ' ' LEU . 8.3 p -60.9 133.87 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 65.45 111.142 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -84.43 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.178 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' H ' HG22 ' A' ' 52' ' ' VAL . 42.6 mt -53.37 -29.84 36.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.915 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -27.5 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.104 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.46 -26.47 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.24 -35.46 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 51.03 111.068 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.15 -31.87 56.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.455 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.72 -26.53 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 73.45 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -52.16 -31.2 30.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -60.85 -36.97 80.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.28 -26.74 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.926 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -53.81 -34.27 58.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.947 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.44 115.28 4.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 75.43 112.5 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 73.12 110.894 -179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.817 0.257 . . . . 74.43 112.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 159.14 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.52 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -98.28 28.64 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -66.25 -25.59 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 70.31 111.131 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -52.23 -31.31 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 71.5 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -81.23 63.04 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.896 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.4 -37.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.3 111.154 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' VAL . 85.3 t80 -52.1 -32.73 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 44.45 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.82 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 64.44 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -52.15 -30.33 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 8' ' ' PHE . 61.9 t -57.84 -61.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.112 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -71.81 -31.78 66.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.4 110.875 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -54.89 -29.04 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 51.23 110.928 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttp -56.23 158.8 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.859 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.28 48.35 4.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.15 110.952 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 18' ' ' PRO . 13.8 mtmm -56.04 -21.87 24.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 63.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t 39.95 50.17 3.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 75.12 111.158 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.5 Cg_endo -69.78 -179.31 2.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 54.14 112.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 141.41 48.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.45 111.175 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.66 110.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -59.33 -40.48 86.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.893 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.84 -26.65 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -75.24 -32.11 61.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.52 167.03 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 60.15 112.45 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.63 -175.03 40.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 74.15 112.525 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.37 172.64 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 63.43 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.5 106.37 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.872 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.698 ' O ' HG22 ' A' ' 31' ' ' ILE . 97.6 m-85 -76.87 -29.23 55.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.58 -21.51 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.03 110.839 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.25 -25.02 46.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 72.04 110.883 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.698 HG22 ' O ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -94.86 23.14 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.33 111.166 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -115.02 73.41 3.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.702 . . . . 73.22 110.933 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -172.98 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.717 2.278 . . . . 73.21 112.377 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.45 160.39 28.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 71.33 110.862 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.67 6.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 62.44 112.362 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt 62.83 88.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 66.78 38.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 62.31 110.892 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.95 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.704 2.269 . . . . 64.5 112.346 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -87.28 -69.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 71.22 111.178 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -88.4 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.927 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -104.87 -58.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.02 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.54 -169.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.839 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -75.68 -30.22 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 72.32 110.849 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.2 pt -58.56 -24.11 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.23 111.152 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.529 ' O ' HD22 ' A' ' 48' ' ' LEU . 1.8 mt-10 -59.37 -21.79 60.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.26 -17.26 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 44' ' ' ILE . 8.6 mp -60.24 -18.76 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.933 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -61.37 -18.0 56.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 75.35 110.929 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -62.06 -17.9 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.837 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -102.2 -20.45 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -95.78 29.27 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.863 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 48' ' ' LEU . 18.5 m -141.52 25.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 60.42 111.135 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.8 p -85.95 -61.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.14 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.26 -26.44 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 75.51 110.941 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.91 64.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 44.1 111.07 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.59 -27.21 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -33.5 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.53 111.092 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.01 -22.04 74.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.26 -26.99 61.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.364 . . . . 74.24 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 tpt -78.05 -35.51 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -76.25 -26.25 55.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -54.63 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.31 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -66.62 -38.24 86.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.917 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.76 -142.67 35.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 24.1 112.522 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 64.22 110.872 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.764 0.235 . . . . 74.42 112.372 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -80.57 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -141.13 158.62 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.911 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -75.19 -27.71 59.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 55.24 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -52.96 -30.89 37.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.889 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.22 102.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.35 -31.74 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.22 111.112 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.46 -34.43 57.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.865 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.21 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -55.11 -31.32 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.24 110.921 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 t -66.13 -35.03 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.13 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.35 -30.51 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.879 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.71 -27.64 42.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.7 mtt -106.5 68.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.865 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 17' ' ' THR . 69.8 t80 -53.34 -28.74 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.945 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.82 86.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 45.55 110.939 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t -139.09 42.11 0.53 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 72.23 111.162 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.0 Cg_endo -69.79 -37.33 9.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 70.41 112.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 p 49.89 34.82 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.168 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tp -124.81 28.45 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -70.47 -28.1 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.898 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -55.55 -34.86 65.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -111.76 26.59 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.908 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.46 100.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 64.43 112.472 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.58 -153.24 52.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 53.15 112.524 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.6 151.97 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 73.14 110.877 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -136.08 -52.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 72.55 110.909 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -58.06 -26.23 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 64.24 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -55.21 -26.67 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.54 110.871 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -55.13 -32.05 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 63.43 110.875 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -26.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 75.54 111.101 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.66 73.17 2.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 75.22 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.16 31.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.244 . . . . 70.14 112.329 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -172.73 68.58 0.39 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.723 0.773 . . . . 64.44 110.843 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.614 ' C ' HD13 ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 169.07 19.77 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.664 2.243 . . . . 64.23 112.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -156.4 31.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.52 110.936 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 160.68 2.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 54.54 110.882 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.7 54.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 72.2 112.341 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -85.2 2.04 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 73.12 111.116 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -56.66 -29.24 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 41.44 110.928 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -60.53 -26.64 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.904 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t -61.59 169.91 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 54.12 110.884 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -75.19 -26.57 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 pp -51.84 -30.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.34 -37.6 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.71 -26.93 44.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.865 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.47 -40.61 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.53 -28.74 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.23 110.95 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -80.4 -30.96 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -57.05 -28.33 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.13 110.932 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -60.9 -28.81 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.924 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 52' ' ' VAL . 13.0 p 39.55 38.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 50.33 111.138 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -26.02 67.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 54' ' ' LEU . 6.3 tt -55.36 -26.79 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.7 -31.62 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 71.22 111.157 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.94 -33.78 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.41 110.838 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.86 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 -20.93 60.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 23.5 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -64.31 -29.3 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 73.51 110.86 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -54.56 -27.29 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.886 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -53.27 -31.8 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 44.45 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -55.07 -44.07 74.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.876 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.24 -29.84 70.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 74.54 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.6 165.45 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.44 112.504 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 54.54 110.871 -179.849 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.79 0.246 . . . . 74.24 112.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -84.47 -28.1 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.891 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -110.21 93.52 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -66.1 -32.3 73.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.151 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 19.5 mtt180 -72.96 -37.89 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 70.34 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 63.42 160.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.866 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.4 -31.0 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 t80 -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . . . -86.24 -30.68 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.087 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -60.41 -42.6 96.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.883 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 8' ' ' PHE . 28.9 m -59.35 -25.0 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.33 111.16 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.61 -25.88 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -54.61 -27.28 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 62.15 110.847 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.7 mtm -143.83 25.15 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -117.07 -27.01 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.3 110.907 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -58.83 87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 45.11 110.845 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.57 -58.41 10.11 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.593 0.711 . . . . 63.54 111.145 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.79 -171.67 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.257 . . . . 73.34 112.346 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.42 134.78 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.139 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -70.87 100.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 75.13 110.89 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -80.97 -26.28 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.916 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -66.23 -26.33 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.96 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HB2' HD22 ' A' ' 20' ' ' LEU . 2.8 t80 -72.08 -39.25 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 74.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.9 149.49 20.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 71.1 112.492 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.15 115.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.521 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -123.15 132.86 54.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 73.13 110.855 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -121.9 68.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -78.66 -24.65 45.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.42 110.916 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -54.61 -27.3 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 63.55 110.826 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.48 -38.56 59.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 53.52 110.959 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.42 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.55 111.115 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.12 72.87 2.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.595 0.712 . . . . 72.34 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.91 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.62 2.214 . . . . 52.3 112.378 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.44 160.51 36.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.701 0.762 . . . . 64.34 110.86 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 52.41 112.355 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -119.98 162.05 19.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -89.51 158.06 46.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 75.24 110.93 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.23 . . . . 74.45 112.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.0 m -79.07 -24.13 43.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 64.35 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -62.33 -25.07 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -26.7 63.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 70.21 110.872 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.1 p -52.96 119.95 5.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.873 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -69.83 -25.31 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.15 -27.19 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 61.31 111.106 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.92 -26.29 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.0 -56.74 12.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 75.03 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HA ' HG21 ' A' ' 52' ' ' VAL . 4.3 pp -77.28 -18.61 57.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.944 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.3 tp -86.59 -9.8 55.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.961 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.65 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.83 -73.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -144.79 -56.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.873 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 47' ' ' LEU . 89.8 t 35.19 80.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 75.12 111.164 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -86.27 -24.91 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 63.01 111.166 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 9.2 mp -51.83 -30.54 23.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.887 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.71 63.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 65.15 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -96.71 -26.52 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -61.75 -18.74 60.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.14 111.078 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.58 -14.89 63.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 42.24 112.505 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -54.7 -26.32 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 73.25 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -28.84 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.03 110.875 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -54.72 -31.1 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 63.14 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.83 -27.51 68.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -52.12 -38.74 58.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.92 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.57 -116.68 8.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 70.11 112.508 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 70.31 110.922 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.785 0.244 . . . . 75.44 112.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -97.77 144.61 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 70.43 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -51.99 107.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.854 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -79.02 -23.45 44.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.11 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -51.91 -44.94 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.54 129.4 38.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.84 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.34 -32.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 70.32 111.143 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.0 -30.4 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.37 -37.73 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.125 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.44 -53.15 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.04 110.926 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.03 -28.44 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -59.37 -46.4 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -54.92 -33.08 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.893 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mmt -81.52 -179.4 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.861 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.69 84.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.915 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 17' ' ' THR . 55.3 tptt -58.11 -59.91 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 61.3 110.886 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.56 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -161.91 46.43 0.19 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 54.33 111.152 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.4 Cg_endo -69.7 135.02 29.52 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 62.44 112.356 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m 54.96 48.57 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 51.25 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.84 -175.86 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.904 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -88.1 8.68 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.42 110.925 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.4 -6.0 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.955 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -71.48 -25.37 62.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 65.44 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 116.67 4.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 70.42 112.487 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.7 68.02 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 55.43 112.503 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -122.32 135.43 54.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 74.31 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -161.04 177.82 9.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 62.11 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -54.4 -27.65 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.01 110.925 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 t -55.83 -26.19 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 63.41 110.873 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.21 -26.86 42.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.1 110.902 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' HB ' HD23 ' A' ' 32' ' ' LEU . 9.3 pt -117.07 -38.8 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 64.4 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -166.95 158.67 10.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 53.41 110.867 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 72.02 112.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER 178.75 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.661 0.743 . . . . 63.31 110.866 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 54.0 Cg_endo -69.77 146.42 60.09 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.653 2.236 . . . . 70.41 112.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 32' ' ' LEU . 10.9 tp -174.94 126.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -133.49 72.65 74.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 35.24 110.924 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.03 69.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.662 2.241 . . . . 72.23 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -84.7 -26.27 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 71.31 111.159 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -52.1 -31.26 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 53.32 110.905 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -61.34 -36.31 79.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 70.24 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -64.57 136.09 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 70.33 110.856 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -78.16 -32.28 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 71.11 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.6 -27.05 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.094 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.11 -26.5 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.35 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.78 -29.56 28.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -61.43 -40.05 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.938 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.28 -26.0 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.55 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.56 -26.67 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.85 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.04 2.91 55.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -128.39 37.39 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 70.41 110.875 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 55' ' ' ALA . 38.4 t -92.41 108.87 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.24 111.121 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -78.22 -26.0 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 54.5 111.112 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -88.76 3.93 49.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.829 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 52' ' ' VAL . . . -52.38 -29.54 24.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 71.53 111.111 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.8 -39.81 71.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.914 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 -27.91 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.101 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.46 -29.89 32.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.41 112.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.51 -31.23 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 51.5 110.863 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -75.77 -34.67 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 63.45 110.939 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -54.27 -42.26 69.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 65.54 110.944 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -53.5 -38.98 64.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 72.21 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.67 54.25 4.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 74.44 112.546 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 72.15 110.881 -179.853 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.776 0.24 . . . . 62.11 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 62.82 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.877 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -79.7 153.69 29.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -71.11 -25.47 62.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 62.11 111.132 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 52.46 58.81 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 62.1 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.41 -33.86 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.095 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.529 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.0 t80 -53.66 -34.92 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -24.09 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 44.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.48 -23.62 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' PHE . 13.8 p -54.15 -32.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -22.73 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.47 -40.47 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.33 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 tpp -174.15 152.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.86 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.43 ' C ' ' HD3' ' A' ' 18' ' ' PRO . 5.9 t80 -130.72 59.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 70.51 110.954 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -68.78 64.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.867 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.3 p 45.78 48.49 5.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 64.21 111.167 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.8 138.23 37.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.0 112.332 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.682 HG23 HD22 ' A' ' 20' ' ' LEU . 7.9 t -67.77 -19.97 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 43.25 111.115 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 19' ' ' THR . 4.4 mm? -75.89 69.25 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.903 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -87.66 -24.52 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -51.98 -30.95 27.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 20' ' ' LEU . 21.3 m-85 -72.61 -36.76 68.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 54.35 110.87 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 134.8 21.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 62.4 112.53 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.97 130.5 2.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 74.04 112.467 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -121.64 162.19 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 74.01 110.905 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.06 137.95 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -64.04 -26.05 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.826 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -84.21 -11.77 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.892 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -97.95 -4.0 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 73.12 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 pt -116.12 24.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.21 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -108.56 158.27 34.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 73.25 110.907 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.55 33.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 74.43 112.348 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.2 p 47.69 68.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.707 0.765 . . . . 74.15 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.19 35.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.636 2.224 . . . . 64.35 112.362 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.96 100.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.33 73.16 13.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 75.15 110.882 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 106.88 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 72.12 112.362 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -84.44 2.08 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 41.41 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -52.02 -31.4 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 72.34 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -100.52 -32.44 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.42 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m 53.32 68.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.852 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -26.96 49.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 65.53 110.864 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 pt -55.08 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.14 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.16 -30.7 66.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.83 -56.64 18.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.05 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.75 -26.48 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 72.02 110.904 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 48' ' ' LEU . 10.5 tt -58.63 -44.37 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.911 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.56 -37.04 73.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.901 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.25 -27.51 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.884 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -125.48 35.47 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.892 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 55' ' ' ALA . 5.1 p -83.08 161.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 62.05 111.124 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -76.12 -33.1 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 45.13 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.5 pp -81.87 4.59 21.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 54.14 110.889 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -50.79 -39.55 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.059 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.17 -26.26 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.82 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.14 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.16 -14.95 62.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 61.11 112.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -55.33 -25.82 36.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 65.3 110.844 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.74 -29.54 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.22 110.887 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -53.7 -30.4 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.34 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.53 -42.8 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.919 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.86 178.85 41.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 72.44 112.479 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 73.22 110.93 -179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.88 0.371 . . . . 73.01 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.2 m -50.49 -31.23 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.131 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -51.91 -30.51 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 62.22 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.09 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.03 111.09 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.45 -38.2 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.77 -31.54 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -30.64 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.892 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -47.57 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.942 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.2 mtp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.855 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.922 0.392 . . . . 74.22 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -76.25 -21.09 56.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 65.11 110.893 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.47 -32.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 71.24 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.26 -30.68 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.4 -26.67 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.42 -31.53 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 75.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.06 -35.41 78.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -29.18 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.823 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.15 -34.55 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.863 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.35 110.904 179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.779 0.323 . . . . 74.12 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.7 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 60.33 111.048 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -70.2 -31.34 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.902 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.18 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.109 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.41 -23.13 68.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.682 -0.771 . . . . 73.23 112.486 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.38 -44.13 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 55.01 110.877 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.55 -26.35 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.925 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -28.19 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.53 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.1 -30.34 71.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.34 -27.75 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.913 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 60.45 112.534 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 50.44 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.35 -45.58 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.677 ' O ' HG12 ' A' ' 11' ' ' VAL . 43.5 m-85 -61.29 -31.76 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 54.03 110.898 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.84 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.02 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.92 -45.29 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.7 p -53.87 -29.7 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 43.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -62.71 -28.23 69.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -54.67 -28.53 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 71.11 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.5 ttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 53.43 110.878 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.9 0.381 . . . . 61.1 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -78.03 -30.06 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.93 -44.92 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 63.13 111.123 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -56.11 -27.73 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.862 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -87.5 -30.79 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 70.32 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.16 -18.95 60.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.913 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.71 -16.15 62.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.45 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -54.78 -26.59 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.888 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -57.89 -27.48 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.92 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 71.54 110.887 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 71.42 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.95 68.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.114 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.78 -32.6 14.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.0 -18.84 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.88 -14.97 64.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 51.03 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.71 -30.24 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 73.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -54.03 -27.91 35.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.873 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -31.46 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -66.68 -34.81 78.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 64.15 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -74.09 -40.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.924 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 65.41 112.523 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.919 0.39 . . . . 74.04 110.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.6 t -50.41 -32.38 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 62.43 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 11' ' ' VAL . 31.1 m-85 -55.7 -36.71 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.925 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.39 26.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.79 -29.39 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.9 p -52.46 -29.18 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.11 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.99 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 54.22 110.951 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -54.58 -27.44 38.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.94 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 tmm? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.862 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.9 0.381 . . . . 61.22 110.823 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -52.05 -30.29 24.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 tp -51.84 -30.09 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.125 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.08 -30.63 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.35 -54.68 28.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 70.53 110.81 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.94 -38.79 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.915 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.43 -31.23 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.886 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.92 -46.7 86.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -58.39 -29.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HA ' HD23 ' A' ' 54' ' ' LEU . 8.7 ttmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 51' ' ' LYS . 1.7 pp . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 61.04 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -27.26 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 62.42 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -53.5 -28.66 32.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.67 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.23 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.16 -23.79 48.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 61.14 112.507 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.0 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 74.22 110.841 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.01 -37.42 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.869 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -65.34 -45.7 83.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.948 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -59.8 -28.05 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.922 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -93.6 16.19 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.915 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.22 112.477 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 12.4 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.917 0.389 . . . . 53.42 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -50.39 -34.05 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.43 111.107 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 11' ' ' VAL . 59.5 t80 -70.94 -38.29 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -76.26 -25.26 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 61.14 111.111 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -55.27 -26.44 40.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.7 m -52.89 -28.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.03 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.01 -45.76 66.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 62.03 110.89 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -54.79 -36.53 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.862 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.938 0.399 . . . . 52.53 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -55.66 -30.6 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.876 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 47' ' ' LEU . 40.9 pt -80.52 -25.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 71.34 111.124 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.44 -26.27 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.12 110.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.21 -26.66 40.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 51.21 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -56.12 -25.48 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.76 -21.9 56.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.933 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -57.12 -23.93 50.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 74.5 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -73.53 -20.98 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 62.2 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.2 110.905 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.833 0.349 . . . . 74.03 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.25 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 45.3 111.128 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.98 -29.95 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.38 -53.52 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.14 -19.69 68.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 72.52 112.504 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.43 -28.25 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 75.54 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.9 ttm -83.51 -26.98 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.34 -31.74 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 52.44 110.94 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -51.96 -31.97 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.971 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.86 -40.17 75.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.937 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 41.43 112.499 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.922 0.391 . . . . 71.41 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -50.47 -31.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.53 111.1 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.09 -29.01 28.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -28.23 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 73.44 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.55 -32.13 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -55.68 -58.49 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.31 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -52.22 -33.75 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.864 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.84 -38.95 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.904 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtm . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.89 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 44' ' ' ILE . 1.5 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.908 0.385 . . . . 73.24 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -71.86 -23.01 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 42' ' ' SER . 14.2 tt -52.03 -29.36 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 61.1 111.137 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' HD22 ' A' ' 48' ' ' LEU . 10.6 pt-20 -55.16 -28.38 52.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.16 -17.29 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 63.23 110.899 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.92 -19.02 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -60.47 -18.62 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 44.13 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.411 ' N ' HD23 ' A' ' 48' ' ' LEU . 12.6 m-85 -73.82 -47.56 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.921 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.51 -24.13 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 33.3 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tptm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.914 179.869 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.624 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 5.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.797 0.332 . . . . 75.41 110.878 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.57 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.42 111.102 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.25 -26.62 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -53.4 -29.72 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 44.41 111.068 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.43 -34.26 57.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 53.51 112.475 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.27 -28.57 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 74.25 110.871 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 ttt -75.28 -28.59 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.833 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -69.92 -45.76 66.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.93 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -71.75 -29.34 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -68.55 -27.08 65.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.13 110.94 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 64.13 112.485 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.358 . . . . 72.21 110.877 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.37 -35.05 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -32.49 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.08 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -53.51 -54.44 37.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 72.41 110.936 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -82.04 -29.3 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.106 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -26.03 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -54.83 -26.93 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.934 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mmm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.896 179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 75.21 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.89 -29.74 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.2 110.884 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.8 tt -56.6 -29.68 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 63.12 111.091 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.16 -45.57 92.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -37.63 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.93 -33.4 70.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.03 -33.1 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -55.95 -46.7 78.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.844 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.5 -23.53 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 51.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.24 110.903 179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pt? . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.85 0.357 . . . . 72.31 110.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.24 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 53.45 111.075 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.71 -42.48 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.45 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.55 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.15 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.52 -16.39 50.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 65.25 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -16.77 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.31 110.898 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 84.8 mtp -61.78 -16.66 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 60.41 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -17.32 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.65 -11.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 63.52 110.915 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.14 -26.12 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.02 110.937 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 72.43 112.524 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.891 0.377 . . . . 74.52 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -50.36 -32.46 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.24 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' VAL . 57.5 t80 -52.84 -31.39 38.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.2 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.102 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -52.16 -30.59 27.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.3 m -54.48 -22.0 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.107 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.14 -15.8 57.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 61.31 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -22.68 21.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.937 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.9 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.923 0.392 . . . . 63.31 110.79 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.82 -26.44 49.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 62.12 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 pt -52.86 -28.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 64.3 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -52.06 -30.41 25.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 51.33 110.906 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.92 -28.54 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 52.11 110.865 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.9 -30.43 44.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 48' ' ' LEU . 9.6 tt -69.51 -32.08 70.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.929 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.67 -26.7 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.838 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -87.74 -26.24 23.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.891 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.86 0.362 . . . . 74.22 110.945 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.77 -30.18 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.33 111.14 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -58.38 -35.22 71.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.33 110.883 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.82 -25.2 60.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.161 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.0 45.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 35.11 112.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.39 -34.16 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 72.42 110.88 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -68.09 -42.57 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.61 -26.08 65.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.891 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -53.12 -29.58 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.921 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.36 -46.33 90.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 72.02 110.912 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.42 112.492 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.955 0.407 . . . . 72.04 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -50.37 -58.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.12 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.564 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.3 p90 -56.05 -27.16 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.869 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.27 -24.83 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.083 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -51.6 -30.57 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 73.51 110.928 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 8' ' ' PHE . 32.4 m -53.81 -30.1 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.103 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -57.38 -25.88 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.891 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -54.64 -27.17 37.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.916 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.961 0.41 . . . . 63.4 110.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.28 -38.93 85.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 71.43 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -83.23 -25.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 51.02 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.45 -14.63 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.04 110.838 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -50.79 -55.19 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.794 HD13 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.92 -12.56 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.958 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.573 ' N ' HD22 ' A' ' 47' ' ' LEU . 8.0 tp -80.87 -20.54 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.86 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.6 -26.37 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.863 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.84 0.352 . . . . 74.25 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.54 -26.9 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.01 111.102 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.84 -37.13 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 61.01 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.53 -30.67 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 73.22 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.62 99.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.33 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.93 -34.88 78.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 65.2 110.909 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttm -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 41.21 110.88 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -78.64 -35.39 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -66.83 -49.18 66.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -77.03 -38.79 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.928 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 73.41 112.499 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 75.32 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.43 -31.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.22 111.167 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 11' ' ' VAL . 49.8 t80 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -25.14 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 63.32 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.65 -31.74 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.01 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 8' ' ' PHE . 19.9 m -52.02 -29.94 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.11 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -55.11 -26.77 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 51.33 110.897 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -54.84 -46.33 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 55.44 110.894 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.1 mtm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.12 110.864 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.856 0.36 . . . . 71.44 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.68 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 47' ' ' LEU . 9.3 tp -52.51 -29.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.22 111.127 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.3 -31.67 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.34 -44.73 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 72.55 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 44' ' ' ILE . 19.2 tp -54.49 -29.81 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.9 tt -65.99 -42.25 90.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -57.92 -27.98 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -92.89 -34.19 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.879 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.88 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.868 0.366 . . . . 74.35 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -26.77 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.12 111.103 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.09 -27.91 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 63.34 110.848 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.14 -25.36 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.11 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.39 64.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 61.21 112.514 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -61.96 -33.16 73.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 43.24 110.874 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtt -77.7 -32.66 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -28.23 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -59.45 -39.6 84.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 52.51 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -65.46 -41.21 93.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.902 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.498 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.896 0.379 . . . . 61.12 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.8 m -50.5 -30.31 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.41 111.108 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -51.64 -30.59 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.46 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.088 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.81 -32.02 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.902 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.68 -27.63 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.45 111.127 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -68.11 -26.53 65.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -54.97 -30.23 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 64.4 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ptm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.927 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 63.24 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.46 -27.92 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.677 ' O ' HD23 ' A' ' 47' ' ' LEU . 76.2 mt -67.87 -29.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.35 111.092 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' HD13 ' A' ' 48' ' ' LEU . 43.2 mm-40 -85.64 -17.58 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -57.61 -23.31 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.873 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 44' ' ' ILE . 1.4 pp -60.78 -19.03 58.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.895 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 45' ' ' GLU . 8.4 mp -63.73 -16.29 60.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -58.55 -22.17 54.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.39 -12.58 59.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.921 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.942 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.795 0.331 . . . . 74.35 110.941 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.15 111.12 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.17 -30.1 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.18 -28.12 38.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.47 -22.42 56.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.11 112.484 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.88 -26.38 58.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 70.11 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -52.6 -33.2 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.858 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -54.63 -29.6 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 61.24 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.98 -42.34 98.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.95 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -52.25 -30.01 25.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.946 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.44 112.508 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.916 0.388 . . . . 75.31 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.41 -31.44 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 84.1 m-85 -53.53 -38.43 63.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 65.5 110.884 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.42 60.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 60.32 111.12 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.5 -26.22 41.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.9 p -53.05 -30.71 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 71.54 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -32.42 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.876 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.87 -34.03 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.877 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 61.5 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -72.09 -27.69 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.83 -31.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.36 -35.58 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.27 -26.41 38.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -26.14 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 71.53 110.939 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.01 -25.3 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.922 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.59 -26.02 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 60.4 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -29.54 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.914 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.0 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.853 0.359 . . . . 73.03 110.927 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.05 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.02 111.094 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.18 -32.92 74.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.33 36.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 51.13 111.1 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.14 -26.03 48.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 43.42 112.522 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.34 -29.87 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 73.41 110.909 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -57.5 -30.21 64.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 70.33 110.846 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -57.19 -43.99 83.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.03 -55.07 39.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 61.12 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.38 -26.29 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.908 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 74.4 112.49 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.874 0.368 . . . . 63.22 110.881 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 p -50.57 -30.42 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.136 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.524 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.6 p90 -54.33 -30.89 52.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.85 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.99 -20.93 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.1 111.109 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.03 -21.9 50.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 64.32 110.894 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 8' ' ' PHE . 17.0 m -51.42 -30.03 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.125 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -33.32 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 55.34 110.954 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -55.05 -36.68 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.87 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.924 0.392 . . . . 51.34 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -52.33 -29.62 24.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 71.23 110.886 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 tt -51.58 -30.09 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 51.22 111.165 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -52.91 -30.17 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 60.24 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.39 -26.38 52.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.897 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.32 -18.87 60.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 63.33 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -64.31 -16.03 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -57.73 -23.03 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.906 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.24 -20.07 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.35 110.878 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.936 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.789 0.328 . . . . 75.42 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.1 60.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.135 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.89 -26.8 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 64.31 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.43 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 53.22 111.097 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.36 -24.7 52.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 45.31 112.495 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.86 -26.74 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 71.14 110.905 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.7 ptm -52.52 -30.88 32.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.827 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -52.12 -34.81 46.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 74.02 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.63 -42.14 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 64.04 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 63.02 112.481 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.87 0.367 . . . . 52.01 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.43 -32.03 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.091 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.559 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.4 t80 -52.22 -29.97 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.874 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.24 36.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 63.25 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.12 -29.06 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.03 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.1 m -52.64 -28.97 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.149 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -55.88 -26.91 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.934 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.71 -27.22 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.906 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.915 0.388 . . . . 52.5 110.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.23 -28.09 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 63.31 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' HA ' HD23 ' A' ' 47' ' ' LEU . 65.3 mt -60.91 -48.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 71.45 111.128 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.69 -15.56 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 51.44 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -85.63 -35.18 21.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 44' ' ' ILE . 1.1 pp -53.93 -29.41 42.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.897 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.28 -30.9 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.896 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -71.28 -40.94 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -47.83 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mptt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 70.14 110.911 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.838 0.351 . . . . 72.53 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.97 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 33.54 111.099 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.71 -39.26 70.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 43.25 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.49 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 54.15 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.1 30.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 71.21 112.501 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.51 -30.66 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 65.21 110.876 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.07 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.01 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.23 -26.39 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.15 -33.45 40.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.937 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 71.44 112.495 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.93 0.395 . . . . 71.55 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.6 -30.94 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.14 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 11' ' ' VAL . 64.8 m-85 -54.11 -30.65 49.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.845 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.51 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -53.44 -32.79 51.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.883 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' PHE . 18.0 m -69.32 -30.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.3 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -65.41 -28.37 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 61.32 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.86 -27.56 43.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.886 179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.884 0.374 . . . . 75.25 110.849 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -70.96 -26.4 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 63.45 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.8 HG22 HD23 ' A' ' 47' ' ' LEU . 3.8 mp -52.7 -31.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.145 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -55.19 -26.44 39.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.875 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.68 -20.99 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 62.4 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 44' ' ' ILE . 1.7 pp -60.99 -18.83 59.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.933 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.72 -16.01 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 65.25 110.893 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -20.3 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.855 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -85.7 2.95 43.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.924 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.35 110.879 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.791 0.329 . . . . 63.51 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.22 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.14 111.102 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -27.98 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.5 -32.57 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 53.14 111.158 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.13 -28.79 55.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 72.31 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.78 -26.85 67.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 63.11 110.892 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.2 tpp -56.0 -26.34 48.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.928 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -65.79 -18.78 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.04 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -6.04 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.914 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -51.83 -30.28 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.943 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 64.2 112.48 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.899 0.38 . . . . 72.25 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.43 -31.45 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.44 -42.75 83.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 72.13 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.84 -29.02 61.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 65.23 111.05 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.05 -28.01 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.81 -36.66 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 71.13 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -75.81 -33.08 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 65.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -54.81 -34.99 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.3 mtt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 62.21 110.883 179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.885 0.374 . . . . 53.31 110.824 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.57 -30.37 52.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 pt -56.24 -25.14 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.12 111.151 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.3 -30.49 64.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.925 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -34.57 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.891 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -42.03 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 61.13 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mp -55.63 -41.64 73.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.948 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -80.11 -30.95 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 63.41 110.865 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -65.61 -26.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.86 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.6 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.823 0.344 . . . . 71.43 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -27.5 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.104 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.46 -26.47 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.24 -35.46 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 51.03 111.068 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.15 -31.87 56.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.455 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.72 -26.53 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 73.45 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -52.16 -31.2 30.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -60.85 -36.97 80.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.28 -26.74 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.926 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -53.81 -34.27 58.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.947 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 75.43 112.5 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.878 0.37 . . . . 74.12 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.4 -37.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.3 111.154 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' VAL . 85.3 t80 -52.1 -32.73 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 44.45 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.82 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 64.44 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -52.15 -30.33 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 8' ' ' PHE . 61.9 t -57.84 -61.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.112 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -71.81 -31.78 66.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.4 110.875 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -54.89 -29.04 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 51.23 110.928 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.859 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.879 0.371 . . . . 62.14 110.839 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -75.68 -30.22 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 72.32 110.849 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.2 pt -58.56 -24.11 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.23 111.152 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.529 ' O ' HD22 ' A' ' 48' ' ' LEU . 1.8 mt-10 -59.37 -21.79 60.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.26 -17.26 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 44' ' ' ILE . 8.6 mp -60.24 -18.76 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.933 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -61.37 -18.0 56.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 75.35 110.929 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -62.06 -17.9 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.837 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -102.2 -20.45 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 tttp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.863 179.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.833 0.349 . . . . 75.51 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.91 64.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 44.1 111.07 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.59 -27.21 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -33.5 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.53 111.092 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.01 -22.04 74.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.26 -26.99 61.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.364 . . . . 74.24 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 tpt -78.05 -35.51 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -76.25 -26.25 55.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -54.63 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.31 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -66.62 -38.24 86.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.917 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 24.1 112.522 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.92 0.39 . . . . 75.25 110.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.35 -31.74 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.22 111.112 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.46 -34.43 57.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.865 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.21 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -55.11 -31.32 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.24 110.921 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 t -66.13 -35.03 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.13 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.35 -30.51 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.879 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.71 -27.64 42.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.865 179.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.869 0.366 . . . . 54.12 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -75.19 -26.57 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 pp -51.84 -30.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.34 -37.6 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.71 -26.93 44.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.865 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.47 -40.61 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.53 -28.74 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.23 110.95 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -80.4 -30.96 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -57.05 -28.33 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.13 110.932 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.924 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 54' ' ' LEU . 6.3 tt . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.787 0.327 . . . . 74.43 110.914 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.7 -31.62 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 71.22 111.157 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.94 -33.78 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.41 110.838 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.86 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 -20.93 60.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 23.5 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -64.31 -29.3 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 73.51 110.86 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -54.56 -27.29 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.886 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -53.27 -31.8 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 44.45 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -55.07 -44.07 74.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.876 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.24 -29.84 70.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 74.54 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.44 112.504 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.887 0.375 . . . . 71.21 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.4 -31.0 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 t80 -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.24 -30.68 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.087 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -60.41 -42.6 96.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.883 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 8' ' ' PHE . 28.9 m -59.35 -25.0 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.33 111.16 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.61 -25.88 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -54.61 -27.28 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 62.15 110.847 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.7 mtm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.911 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.886 0.374 . . . . 64.12 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -69.83 -25.31 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.15 -27.19 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 61.31 111.106 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.92 -26.29 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.0 -56.74 12.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 75.03 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.28 -18.61 57.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.944 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.3 tp -86.59 -9.8 55.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.961 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.65 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.83 -73.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 9.2 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.333 . . . . 74.44 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.71 63.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 65.15 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -96.71 -26.52 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -61.75 -18.74 60.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.14 111.078 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.58 -14.89 63.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 42.24 112.505 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -54.7 -26.32 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 73.25 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -28.84 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.03 110.875 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -54.72 -31.1 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 63.14 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.83 -27.51 68.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -52.12 -38.74 58.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.92 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 70.11 112.508 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.929 0.395 . . . . 61.34 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.34 -32.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 70.32 111.143 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.0 -30.4 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.37 -37.73 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.125 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.44 -53.15 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.04 110.926 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.03 -28.44 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -59.37 -46.4 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -54.92 -33.08 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.893 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.861 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.868 0.366 . . . . 70.33 110.856 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -78.16 -32.28 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 71.11 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.6 -27.05 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.094 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.11 -26.5 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.35 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.78 -29.56 28.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -61.43 -40.05 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.938 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.28 -26.0 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.55 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.56 -26.67 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.85 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.04 2.91 55.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 70.41 110.875 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.778 0.323 . . . . 73.35 110.829 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -29.54 24.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 71.53 111.111 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.8 -39.81 71.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.914 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 -27.91 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.101 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.46 -29.89 32.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.41 112.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.51 -31.23 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 51.5 110.863 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -75.77 -34.67 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 63.45 110.939 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -54.27 -42.26 69.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 65.54 110.944 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -53.5 -38.98 64.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 72.21 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 74.44 112.546 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.901 0.381 . . . . 62.1 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.41 -33.86 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.095 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.529 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.0 t80 -53.66 -34.92 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -24.09 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 44.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.48 -23.62 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' PHE . 13.8 p -54.15 -32.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -22.73 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.47 -40.47 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.33 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 tpp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.86 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.95 0.405 . . . . 74.43 110.852 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -26.96 49.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 65.53 110.864 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 pt -55.08 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.14 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.16 -30.7 66.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.83 -56.64 18.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.05 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.75 -26.48 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 72.02 110.904 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 48' ' ' LEU . 10.5 tt -58.63 -44.37 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.911 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.56 -37.04 73.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.901 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.25 -27.51 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.884 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.892 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.5 pp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.791 0.329 . . . . 54.14 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.79 -39.55 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.059 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.17 -26.26 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.82 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.14 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.16 -14.95 62.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 61.11 112.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -55.33 -25.82 36.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 65.3 110.844 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.74 -29.54 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.22 110.887 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -53.7 -30.4 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.34 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.53 -42.8 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.919 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 72.44 112.479 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 N--CA 1.465 -0.165 0 CA-C-O 120.791 0.246 . . . . 73.33 112.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.19 109.95 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 73.44 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -96.45 29.35 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.02 110.908 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 7' ' ' VAL . 38.1 p -79.02 -30.43 44.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 74.02 111.146 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mmp_? -73.11 -13.35 61.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.851 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -73.96 -7.55 52.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.01 110.858 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 4' ' ' THR . 14.2 m -50.49 -31.23 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.44 111.131 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -51.91 -30.51 24.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 62.22 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.04 -34.09 54.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.03 111.09 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.45 -38.2 22.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.22 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.2 t -55.77 -31.54 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 63.31 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 -30.64 36.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 52.31 110.892 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -47.57 73.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.942 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.2 mtp 55.58 26.15 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 72.43 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.417 ' O ' HG22 ' A' ' 17' ' ' THR . 4.7 m-85 52.34 76.24 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 70.1 110.929 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -58.81 87.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.941 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.642 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 10.0 t -140.27 42.08 0.48 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.586 0.707 . . . . 73.31 111.142 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.8 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.701 2.267 . . . . 72.5 112.343 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.35 153.13 42.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 73.12 111.107 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.54 HD22 ' HA3' ' A' ' 24' ' ' GLY . 2.2 mt -104.02 82.06 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.925 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -90.7 -63.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.41 110.842 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -88.67 -52.81 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.45 110.866 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -127.54 -50.11 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 75.54 110.92 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' HA3' HD22 ' A' ' 20' ' ' LEU . . . 90.41 -118.45 5.32 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.722 -0.751 . . . . 73.5 112.486 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.06 70.49 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 44.44 112.479 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -110.07 127.13 54.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 74.3 110.903 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -126.12 166.53 16.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 62.02 110.844 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -72.68 -28.24 62.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 52.5 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 m -83.53 1.54 41.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.31 110.863 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.03 -26.13 20.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 75.11 110.904 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 pt -96.51 24.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 73.33 111.135 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.69 159.17 33.1 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 72.1 110.877 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 164.25 35.26 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.691 2.26 . . . . 75.54 112.33 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.1 t -168.65 68.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.692 0.758 . . . . 74.14 110.898 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 147.88 63.97 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.705 2.27 . . . . 52.24 112.342 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.711 ' C ' HD22 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -171.15 155.7 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 65.11 110.881 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.96 73.31 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 71.03 110.92 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 82.65 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 62.4 112.355 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.4 t -85.77 -25.67 26.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 64.2 111.141 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.82 -38.59 64.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 75.32 110.857 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -58.78 -30.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.913 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.8 m -91.21 46.9 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.841 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -76.25 -21.09 56.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 65.11 110.893 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.7 mm -51.47 -32.33 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 71.24 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -54.26 -30.68 51.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 73.23 110.909 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -57.4 -26.67 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 72.25 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 tp -56.42 -31.53 64.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 75.42 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 26.7 mt -68.06 -35.41 78.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.905 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -64.76 -29.18 70.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 71.52 110.823 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -54.15 -34.55 60.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 72.32 110.863 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -64.34 -44.91 90.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 75.35 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.7 m -125.27 70.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 72.14 111.111 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.14 -56.98 3.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.32 111.195 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 mp -100.17 4.06 44.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.891 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.7 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 60.33 111.048 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -70.2 -31.34 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 62.14 110.902 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.86 -25.18 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.109 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.41 -23.13 68.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.682 -0.771 . . . . 73.23 112.486 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -70.38 -44.13 68.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 55.01 110.877 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.9 mmt -69.55 -26.35 64.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.925 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -28.19 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 71.53 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -63.1 -30.34 71.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.89 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.34 -27.75 68.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 75.21 110.913 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.5 -28.45 28.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 60.45 112.534 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 73.53 110.908 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.782 0.243 . . . . 73.52 112.322 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 -132.45 45.2 2.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 75.11 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -135.03 -51.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.892 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -67.17 -25.31 66.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.476 . . . . 72.13 111.145 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -52.03 -34.99 45.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.34 110.85 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.31 -42.6 82.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.44 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.8 t -50.35 -45.58 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 63.54 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.677 ' O ' HG12 ' A' ' 11' ' ' VAL . 43.5 m-85 -61.29 -31.76 71.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 54.03 110.898 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.98 -24.84 52.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 70.02 111.088 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -51.92 -45.29 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.928 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.677 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.7 p -53.87 -29.7 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 43.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -62.71 -28.23 69.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 74.14 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -54.67 -28.53 47.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 71.11 110.903 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 4.5 ttp -72.32 85.03 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 53.43 110.878 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -129.75 82.35 2.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.973 0.416 . . . . 75.31 110.911 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -58.85 87.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.74 -58.46 9.72 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.592 0.711 . . . . 52.53 111.096 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.75 169.13 19.61 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 64.04 112.315 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.38 141.8 29.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 74.35 111.146 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.18 98.97 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 61.22 110.94 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -86.63 -26.77 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.919 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -54.42 -27.58 37.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 72.12 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -96.01 31.38 2.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 73.45 110.864 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.67 154.1 21.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.789 -0.719 . . . . 52.23 112.498 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.39 131.41 10.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.773 -0.727 . . . . 51.23 112.498 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -100.85 169.56 8.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 65.22 110.877 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -76.95 119.85 21.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.912 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -66.49 -25.64 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.04 110.881 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.647 ' O ' HD23 ' A' ' 32' ' ' LEU . 1.8 m -79.07 -30.23 43.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 61.25 110.816 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -66.65 -21.99 66.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.903 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 39.1 pt -100.34 24.55 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.55 111.069 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -80.37 154.93 74.42 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 54.54 110.89 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' N ' HD12 ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 106.31 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 73.52 112.347 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -124.81 70.36 58.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 60.41 110.851 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 123.23 9.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.688 2.259 . . . . 70.43 112.358 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.89 175.57 5.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -106.33 160.67 25.4 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.531 0.681 . . . . 65.53 110.952 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 127.16 14.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.714 2.276 . . . . 73.51 112.353 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -81.17 -25.63 36.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 54.21 111.128 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -56.88 -24.29 50.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 71.12 110.869 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -58.58 -37.91 76.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.858 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -65.46 93.82 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 61.1 110.87 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -78.03 -30.06 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.929 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mm -51.93 -44.92 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 63.13 111.123 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -56.11 -27.73 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.21 110.862 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -87.5 -30.79 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 70.32 110.878 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.16 -18.95 60.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 71.13 110.913 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.71 -16.15 62.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.45 110.895 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -54.78 -26.59 35.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.888 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -57.89 -27.48 63.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.92 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.62 36.69 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 71.54 110.887 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 52' ' ' VAL . 6.7 p -101.12 23.86 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 55.42 111.104 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.9 m -76.95 -28.72 55.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 42.11 111.117 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.63 -29.29 51.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.87 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.95 68.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 74.43 111.114 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -92.78 -32.6 14.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 62.12 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.0 -18.84 59.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.21 111.09 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.88 -14.97 64.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 51.03 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.71 -30.24 21.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.861 0.362 . . . . 73.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -54.03 -27.91 35.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.873 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.15 -31.46 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.913 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -66.68 -34.81 78.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 64.15 110.922 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -74.09 -40.75 62.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.924 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -145.5 141.81 10.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 65.41 112.523 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 72.25 110.892 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.138 0 CA-C-O 120.754 0.231 . . . . 72.14 112.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.97 61.84 5.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.42 110.868 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -113.22 -35.72 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 44.3 p -56.17 -31.32 63.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 75.41 111.153 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -61.12 -26.37 67.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 61.41 110.877 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -77.73 63.44 2.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.94 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.6 t -50.41 -32.38 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 62.43 111.114 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' O ' HG12 ' A' ' 11' ' ' VAL . 31.1 m-85 -55.7 -36.71 67.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.925 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.16 -26.39 26.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 75.41 111.076 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -58.79 -29.39 66.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.54 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' PHE . 10.9 p -52.46 -29.18 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 61.11 111.129 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -40.99 88.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 54.22 110.951 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -54.58 -27.44 38.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 64.41 110.94 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -52.5 -44.26 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.21 110.862 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -109.69 72.23 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 71.12 110.912 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -55.2 -25.38 32.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 70.24 110.926 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.617 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER 65.08 42.58 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.519 0.676 . . . . 74.53 111.143 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.1 Cg_endo -69.84 133.94 26.61 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.678 2.252 . . . . 74.52 112.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 p -109.14 74.58 0.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 60.12 111.134 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.16 95.91 6.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 75.31 110.967 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -87.57 -26.71 22.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 71.4 110.929 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -53.02 -30.2 34.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.66 27.23 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 72.25 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -165.06 -151.13 6.46 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 72.43 112.512 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.11 122.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.745 . . . . 73.35 112.485 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -118.31 122.26 42.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.91 0.386 . . . . 64.51 110.851 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -123.54 33.54 5.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 72.32 110.848 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -73.0 -26.68 61.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.935 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -52.84 -37.23 59.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 71.2 110.85 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -54.27 -39.41 66.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.834 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 31' ' ' ILE . 8.7 mm -99.16 24.42 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.425 . . . . 54.4 111.143 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 tt -134.49 71.58 71.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 72.43 110.952 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 176.17 7.1 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 64.04 112.342 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.5 t -155.82 69.15 5.13 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.667 0.746 . . . . 70.44 110.888 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 93.68 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 65.22 112.339 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -124.54 102.12 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 74.35 110.912 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -139.95 68.56 35.52 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.579 0.704 . . . . 73.1 110.885 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.244 . . . . 44.42 112.356 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 m -85.12 -25.63 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.01 111.129 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -59.15 -27.65 65.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.844 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.539 ' O ' HG22 ' A' ' 44' ' ' ILE . 17.0 ttp180 -100.69 7.45 43.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 74.14 110.89 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.6 t -70.78 -25.75 63.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 61.22 110.823 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -52.05 -30.29 24.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.907 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 41' ' ' ARG . 10.4 tp -51.84 -30.09 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 111.125 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.08 -30.63 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 73.04 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.35 -54.68 28.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 70.53 110.81 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -58.94 -38.79 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.915 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.43 -31.23 67.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 64.32 110.886 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -62.92 -46.7 86.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 71.33 110.856 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -58.39 -29.0 65.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.52 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' HA ' HD23 ' A' ' 54' ' ' LEU . 8.7 ttmt -55.94 -26.49 48.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 71.04 110.895 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.34 -35.38 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 73.15 111.137 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 49.2 p -60.2 -40.4 89.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 60.24 111.17 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 51' ' ' LYS . 1.7 pp -54.92 -26.8 38.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 61.04 110.878 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.35 -27.26 46.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 62.42 111.09 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -53.5 -28.66 32.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.908 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.52 -31.67 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.23 111.082 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.16 -23.79 48.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.743 . . . . 61.14 112.507 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -65.0 -38.2 90.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.81 0.338 . . . . 74.22 110.841 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -57.01 -37.42 71.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 64.43 110.869 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -65.34 -45.7 83.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.948 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -59.8 -28.05 67.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.922 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -93.6 16.19 14.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.915 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.92 109.48 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.22 112.477 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.789 0.328 . . . . 70.22 110.905 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.794 0.248 . . . . 71.15 112.354 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.29 -72.7 0.71 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 74.12 110.878 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -80.29 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 54.12 110.845 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 m -72.04 -46.37 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 61.13 111.127 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HB3' HG23 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -52.76 -29.83 29.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.1 110.882 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . 12.4 pt-20 39.41 41.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 53.42 110.927 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG23 ' HB3' ' A' ' 5' ' ' ARG . 64.7 t -50.39 -34.05 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 74.43 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 11' ' ' VAL . 59.5 t80 -70.94 -38.29 72.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.888 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -76.26 -25.26 54.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 61.14 111.111 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -55.27 -26.44 40.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 73.31 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.7 m -52.89 -28.89 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.03 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.01 -45.76 66.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 62.03 110.89 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -54.79 -36.53 65.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 3.9 tpt -53.75 148.27 10.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.862 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -96.66 40.64 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 71.52 110.899 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -58.8 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 63.33 110.923 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.63 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 1.3 m -139.27 42.11 0.52 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 72.12 111.135 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.1 Cg_endo -69.73 82.2 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.717 2.278 . . . . 70.14 112.352 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.5 t -141.3 138.74 33.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 74.3 111.152 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 tp -127.25 81.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.942 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -88.13 8.82 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 64.02 110.889 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.49 -26.26 30.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.42 110.946 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -71.55 -31.19 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 52.02 110.868 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.17 119.1 6.33 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 73.51 112.482 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.76 41.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 64.42 112.556 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -101.41 141.16 34.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 74.14 110.9 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -124.58 80.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 71.55 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 31' ' ' ILE . 29.6 p90 -65.04 -25.17 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 63.14 110.887 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.7 m -75.22 -23.11 57.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 72.04 110.853 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -55.62 -31.39 62.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.921 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.477 HG23 HD22 ' A' ' 32' ' ' LEU . 11.1 tt -94.79 23.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.084 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD22 HG23 ' A' ' 31' ' ' ILE . 3.9 mm? -125.02 73.52 65.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 75.4 110.922 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 176.58 6.5 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 2.271 . . . . 53.41 112.363 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.3 t -174.67 73.17 0.31 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.697 0.761 . . . . 65.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 147.43 62.86 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 72.25 112.351 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 tt -170.91 88.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.42 110.923 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -156.35 72.15 5.0 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 72.21 110.874 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 85.69 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.647 2.231 . . . . 45.23 112.311 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p -86.0 2.01 48.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 61.54 111.148 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -62.58 -26.59 68.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 64.03 110.899 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -88.17 7.43 31.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 52.2 110.877 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -92.43 -27.61 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 52.53 110.879 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -55.66 -30.6 61.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 73.41 110.876 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.535 ' O ' HD23 ' A' ' 47' ' ' LEU . 40.9 pt -80.52 -25.32 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 71.34 111.124 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.44 -26.27 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 65.12 110.897 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -55.21 -26.66 40.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 51.21 110.848 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.535 HD23 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -56.12 -25.48 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.91 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.76 -21.9 56.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.933 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.437 ' O ' HG13 ' A' ' 52' ' ' VAL . 8.6 m-85 -57.12 -23.93 50.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 74.5 110.901 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -73.53 -20.98 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 62.2 110.88 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -94.92 37.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.2 110.905 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 49' ' ' PHE . 18.6 m -106.67 25.46 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 74.14 111.135 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.9 t -83.94 -29.46 27.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 72.43 111.166 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.14 -26.07 65.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.905 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 -25.25 65.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 45.3 111.128 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -53.98 -29.95 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.38 -53.52 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.14 -19.69 68.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 72.52 112.504 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -60.43 -28.25 68.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 75.54 110.856 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 21.9 ttm -83.51 -26.98 29.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -62.34 -31.74 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 52.44 110.94 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -51.96 -31.97 31.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.971 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.86 -40.17 75.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 70.41 110.937 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -141.6 105.81 0.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 41.43 112.499 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.752 0.31 . . . . 71.43 110.881 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.781 0.242 . . . . 72.53 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.6 ttt-85 -146.11 133.01 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.892 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -130.78 150.98 51.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 65.51 110.848 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 7' ' ' VAL . 3.1 p -73.45 -25.39 60.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 45.53 111.181 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -56.41 -26.3 52.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 74.44 110.852 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -91.13 46.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.41 110.914 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 4' ' ' THR . 35.6 m -50.47 -31.0 8.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 70.53 111.1 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -53.09 -29.01 28.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.94 -28.23 22.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 73.44 111.077 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -62.55 -32.13 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 74.22 110.869 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -55.68 -58.49 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 65.31 111.119 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -52.22 -33.75 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.864 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -54.84 -38.95 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.904 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.6 mtm -108.74 -74.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 73.15 110.89 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 53.16 29.2 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 73.44 110.899 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -58.81 86.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 63.12 110.915 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 41.3 p -142.41 42.08 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 55.01 111.162 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.2 Cg_endo -69.75 -173.21 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.645 2.23 . . . . 75.01 112.377 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.7 p 49.97 42.46 24.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 74.32 111.134 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 20' ' ' LEU . 3.9 pp -95.46 23.93 5.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.914 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -21.62 54.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.854 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.32 -48.42 65.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 71.41 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -96.16 29.59 2.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 75.11 110.844 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.4 101.27 1.98 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 74.31 112.476 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.21 151.96 11.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 63.35 112.542 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -123.48 145.12 49.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 71.55 110.884 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.65 59.19 3.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.1 110.91 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' O ' HG22 ' A' ' 31' ' ' ILE . 14.6 t80 -72.23 -26.09 61.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 74.42 110.927 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.0 t -57.46 -23.78 51.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.111 -0.495 . . . . 73.04 110.878 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.52 -19.8 58.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 62.24 110.896 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 28' ' ' PHE . 17.7 tt -59.48 -30.93 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 71.45 111.158 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tp -158.3 138.89 9.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.584 0.707 . . . . 72.12 110.926 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 111.23 2.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 72.35 112.325 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 m -112.87 160.59 30.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 71.44 110.887 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -33.91 15.56 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.707 2.271 . . . . 73.15 112.31 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -141.45 -66.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 64.33 110.87 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -144.5 159.16 52.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 73.31 110.854 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.09 19.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 73.5 112.336 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.9 m -73.69 -30.55 62.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.121 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -65.83 -24.97 67.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.894 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.33 7.43 35.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.853 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 44' ' ' ILE . 1.5 p -126.97 148.17 50.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 73.24 110.887 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -71.86 -23.01 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.493 HG22 ' HB2' ' A' ' 42' ' ' SER . 14.2 tt -52.03 -29.36 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 61.1 111.137 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' O ' HD22 ' A' ' 48' ' ' LEU . 10.6 pt-20 -55.16 -28.38 52.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 64.33 110.905 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.16 -17.29 57.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 63.23 110.899 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.92 -19.02 49.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.4 110.889 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -60.47 -18.62 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 44.13 110.911 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' ' 52' ' ' VAL . 12.6 m-85 -73.82 -47.56 37.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 63.42 110.921 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -83.51 -24.13 31.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 33.3 110.877 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -54.24 -27.45 34.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.914 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.63 HG22 ' H ' ' A' ' 54' ' ' LEU . 10.7 p -68.39 139.02 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 74.11 111.1 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.96 -28.14 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 72.44 111.125 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.63 ' H ' HG22 ' A' ' 52' ' ' VAL . 5.7 tp -54.56 -27.28 37.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.878 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.57 65.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.42 111.102 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -98.25 -26.62 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.844 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.624 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -53.4 -29.72 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 44.41 111.068 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.43 -34.26 57.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 53.51 112.475 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.27 -28.57 65.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 74.25 110.871 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.0 ttt -75.28 -28.59 59.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 65.41 110.833 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -69.92 -45.76 66.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.93 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -71.75 -29.34 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.92 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -68.55 -27.08 65.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 54.13 110.94 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.19 120.25 6.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 64.13 112.485 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 54.32 110.933 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.753 0.231 . . . . 64.44 112.374 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -115.6 31.91 6.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.884 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -96.42 92.92 6.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 60.11 110.853 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -73.91 -25.79 60.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.3 111.14 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -31.26 67.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.845 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 52.14 51.13 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.21 110.877 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.8 t -50.37 -35.05 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.159 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.54 -32.49 40.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 74.11 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.28 -30.08 26.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.44 111.116 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -53.51 -54.44 37.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 72.41 110.936 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.5 p -82.04 -29.3 9.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.449 . . . . 63.11 111.106 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -26.03 68.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.901 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -54.83 -26.93 38.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.934 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.9 mmm -52.14 153.35 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 63.43 110.896 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -113.68 26.69 10.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 62.04 110.908 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -58.56 87.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.627 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 62.6 p -137.54 42.11 0.6 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.56 0.695 . . . . 75.22 111.116 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.3 Cg_endo -69.79 -48.22 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 65.33 112.364 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m 51.73 45.0 28.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 65.03 111.173 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -95.9 26.61 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 61.54 110.927 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -87.32 -44.83 11.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.939 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -56.73 -26.37 56.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 73.04 110.907 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -71.97 -31.51 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 72.13 110.853 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.85 174.62 28.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 73.2 112.491 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.86 93.2 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 61.21 112.492 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -122.43 173.93 7.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.877 0.37 . . . . 75.35 110.873 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -93.76 107.4 19.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 72.34 110.838 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -79.91 -25.74 40.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 73.34 110.866 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -52.02 -33.07 36.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 61.21 110.891 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.06 -36.56 66.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 62.35 110.927 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.8 -29.22 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 65.14 111.124 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.0 tp -124.84 68.63 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.598 0.713 . . . . 64.0 110.936 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -178.97 2.57 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.661 2.241 . . . . 65.02 112.37 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.18 160.49 35.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.687 0.756 . . . . 73.21 110.863 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -46.92 1.04 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.691 2.26 . . . . 63.35 112.38 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt 52.49 44.73 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 74.41 110.906 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -155.95 70.8 5.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.587 0.708 . . . . 70.41 110.89 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 74.45 112.368 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.9 p -79.82 -15.69 56.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 75.12 111.138 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.69 -11.99 60.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 61.15 110.906 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -20.11 41.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 61.34 110.908 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 88.5 p -87.41 103.33 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.894 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -63.89 -29.74 70.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 75.2 110.884 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.8 tt -56.6 -29.68 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 63.12 111.091 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -60.16 -45.57 92.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.24 110.86 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.73 -37.63 88.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 64.42 110.881 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.8 tp -58.93 -33.4 70.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.03 -33.1 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.921 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -55.95 -46.7 78.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.844 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -61.5 -23.53 65.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 51.14 110.905 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -95.08 37.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 62.24 110.903 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 52' ' ' VAL . 9.9 p -84.72 3.16 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 64.53 111.128 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -58.32 -22.25 52.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.165 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -59.82 -20.46 57.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.954 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.83 -42.24 97.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 53.45 111.075 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -97.71 -42.48 7.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 70.45 110.878 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.47 -19.55 57.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.15 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.52 -16.39 50.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 65.25 112.448 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.93 -16.77 53.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.864 0.364 . . . . 71.31 110.898 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 84.8 mtp -61.78 -16.66 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 60.41 110.863 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.15 -17.32 52.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 73.31 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -71.65 -11.55 60.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 63.52 110.915 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -55.14 -26.12 36.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 64.02 110.937 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.18 169.04 0.93 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.756 . . . . 72.43 112.524 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 40.4 110.884 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.122 0 CA-C-O 120.82 0.258 . . . . 73.52 112.388 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 26.39 14.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 62.24 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 52.6 p-10 -98.31 29.07 3.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 64.22 110.88 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -76.73 -25.62 53.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 64.31 111.191 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -78.01 -27.77 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.874 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -84.75 -51.42 6.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.896 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -50.36 -32.46 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 75.24 111.157 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' O ' HG22 ' A' ' 11' ' ' VAL . 57.5 t80 -52.84 -31.39 38.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.859 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -25.2 43.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.102 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -52.16 -30.59 27.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.3 m -54.48 -22.0 7.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.33 111.107 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -63.14 -15.8 57.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 61.31 110.9 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -22.68 21.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 73.33 110.937 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 9.7 mtm -53.88 122.02 9.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.22 110.9 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -139.47 27.08 2.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 75.4 110.912 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -58.78 87.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.908 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.637 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 75.1 p -138.48 42.13 0.56 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 74.35 111.142 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.3 Cg_endo -69.81 87.47 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.678 2.252 . . . . 71.12 112.356 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.54 40.97 2.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 72.23 111.116 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 pp -116.42 26.67 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -29.29 22.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.91 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -53.64 -28.7 34.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 54.2 110.895 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -95.83 31.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 75.12 110.905 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.09 94.45 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 74.01 112.486 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.39 59.68 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 71.51 112.531 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -86.68 134.84 33.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 71.43 110.868 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -100.1 -27.01 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 72.02 110.89 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -80.11 -23.42 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.843 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 p -51.91 -43.79 63.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 53.13 110.861 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -75.45 -26.0 57.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.34 110.868 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 31' ' ' ILE . 5.8 mt -96.16 24.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 73.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.05 73.32 78.25 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 70.55 110.956 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -45.11 1.73 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.628 2.219 . . . . 72.15 112.405 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m 54.33 70.92 1.49 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.668 0.747 . . . . 60.13 110.874 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -34.69 14.19 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.697 2.265 . . . . 74.24 112.382 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.1 tp -150.05 100.79 2.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 70.22 110.925 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.89 72.87 1.08 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.595 0.712 . . . . 74.3 110.959 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 152.77 69.54 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 73.4 112.364 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 HG23 ' OE2' ' A' ' 45' ' ' GLU . 8.6 t -86.07 -14.22 44.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 54.12 111.159 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.12 -28.43 25.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 53.14 110.906 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.67 -26.25 63.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.868 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -102.97 122.21 44.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 63.31 110.79 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.82 -26.44 49.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 62.12 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 pt -52.86 -28.64 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 64.3 111.171 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' OE2' HG23 ' A' ' 39' ' ' THR . 17.3 pt-20 -52.06 -30.41 25.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 51.33 110.906 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -53.92 -28.54 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 52.11 110.865 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.2 mp -78.9 -30.43 44.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 64.3 110.927 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 48' ' ' LEU . 9.6 tt -69.51 -32.08 70.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.929 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -64.67 -26.7 68.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 72.51 110.838 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -87.74 -26.24 23.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 70.11 110.892 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 37.02 3.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.891 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 52' ' ' VAL . 6.4 m -57.09 108.93 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 63.25 111.156 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 t -86.41 -32.82 20.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 51.43 111.183 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.02 -27.59 32.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 74.22 110.945 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.77 -30.18 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.33 111.14 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -58.38 -35.22 71.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 61.33 110.883 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.82 -25.2 60.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 72.33 111.161 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.76 -20.0 45.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 35.11 112.472 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.39 -34.16 76.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 72.42 110.88 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -68.09 -42.57 80.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.888 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.8 mttm -68.61 -26.08 65.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.891 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -53.12 -29.58 31.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 74.03 110.921 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -61.36 -46.33 90.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.432 . . . . 72.02 110.912 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 57.5 85.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 52.42 112.492 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 73.11 110.878 -179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.761 0.234 . . . . 71.25 112.37 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.3 mtt180 -101.1 104.79 15.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 62.52 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -107.63 110.38 22.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.893 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.498 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . 73.0 p -73.02 -22.73 60.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 31.04 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 74.2 mtm180 -58.41 -25.3 61.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 73.4 110.885 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.43 139.38 58.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 72.04 110.84 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.2 t -50.37 -58.47 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.34 111.12 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.564 ' O ' HG22 ' A' ' 11' ' ' VAL . 33.3 p90 -56.05 -27.16 52.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.869 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.498 ' HB1' ' HA ' ' A' ' 4' ' ' THR . . . -76.27 -24.83 54.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.55 111.083 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -51.6 -30.57 21.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 73.51 110.928 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 8' ' ' PHE . 32.4 m -53.81 -30.1 18.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.103 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -57.38 -25.88 60.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.21 110.891 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -54.64 -27.17 37.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.89 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 22.5 ptp -52.14 136.83 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 74.1 110.916 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -138.35 -43.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.26 -0.427 . . . . 72.12 110.95 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.94 87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 72.25 110.859 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -54.82 -58.45 14.42 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 65.41 111.161 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.5 Cg_endo -69.78 138.55 38.01 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.247 . . . . 72.01 112.336 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 t -143.58 137.89 28.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.119 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.1 mt -118.41 -171.51 2.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 71.54 110.906 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -87.83 7.72 29.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 54.3 110.901 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -52.62 -30.46 31.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.943 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.05 -29.0 7.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 70.23 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.55 -151.45 17.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 61.21 112.479 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -149.39 26.39 1.23 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 73.13 112.505 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -80.56 164.17 23.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.373 . . . . 74.34 110.907 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.09 144.54 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 64.13 110.906 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -57.29 -26.21 60.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.833 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 81.4 p -69.38 -12.61 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.826 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 tp60 -54.72 -26.13 31.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 64.12 110.957 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' O ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -59.62 -26.05 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.171 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.8 mt -114.09 73.63 2.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.621 0.724 . . . . 62.11 110.926 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 161.27 46.58 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.648 2.232 . . . . 72.5 112.328 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -124.28 160.53 52.19 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 72.2 110.885 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 156.17 64.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.676 2.25 . . . . 72.12 112.359 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.9 pp -172.71 148.61 1.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 54.2 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -177.99 73.3 0.22 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.584 0.706 . . . . 72.32 110.933 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.78 37.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 65.13 112.352 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -57.42 -26.13 60.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.44 111.2 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -52.04 -31.93 32.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.949 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -70.51 -41.12 73.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 62.31 110.878 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 p 52.19 29.98 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 63.4 110.885 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -67.28 -38.93 85.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 71.43 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 pp -83.23 -25.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 51.02 111.129 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -87.45 -14.63 39.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 71.04 110.838 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -50.79 -55.19 17.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.85 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.794 HD13 ' H ' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -87.92 -12.56 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 73.32 110.958 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.573 ' N ' HD22 ' A' ' 47' ' ' LEU . 8.0 tp -80.87 -20.54 42.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 70.11 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.436 ' O ' HG13 ' A' ' 52' ' ' VAL . 34.4 t80 -71.08 -26.47 63.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 71.12 110.86 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -83.6 -26.37 30.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 73.21 110.87 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -96.06 27.74 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.863 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 49' ' ' PHE . 34.4 m -75.1 -26.34 18.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 75.21 111.155 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.16 -38.34 69.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 75.43 111.107 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.7 -34.79 78.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.25 110.903 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.54 -26.9 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 64.01 111.102 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -72.84 -37.13 67.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 61.01 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.53 -30.67 63.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 73.22 111.077 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.0 -41.62 99.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 62.33 112.495 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -62.93 -34.88 78.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 65.2 110.909 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 25.9 ttm -70.07 -27.7 64.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 41.21 110.88 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -78.64 -35.39 45.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.02 110.916 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -66.83 -49.18 66.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.881 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -77.03 -38.79 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.928 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.33 135.46 2.19 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 73.41 112.499 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 75.11 110.834 -179.832 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.774 0.239 . . . . 54.04 112.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -106.48 85.87 2.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 62.52 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -122.51 32.63 5.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.12 110.908 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.55 ' O ' HG12 ' A' ' 7' ' ' VAL . 7.8 t -60.85 -25.96 67.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.31 111.133 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -26.13 44.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 75.21 110.863 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -52.08 -31.31 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.923 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 4' ' ' THR . 14.8 p -50.43 -31.88 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 73.22 111.167 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.543 ' O ' HG22 ' A' ' 11' ' ' VAL . 49.8 t80 -65.36 -44.02 88.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.87 -25.14 67.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 63.32 111.113 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -52.65 -31.74 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.01 110.875 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 8' ' ' PHE . 19.9 m -52.02 -29.94 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 72.44 111.11 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mtmm -55.11 -26.77 40.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 51.33 110.897 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -54.84 -46.33 74.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 55.44 110.894 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.1 mtm 55.22 58.07 4.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 62.12 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' O ' HG22 ' A' ' 17' ' ' THR . 0.1 OUTLIER -100.9 26.56 6.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 70.21 110.895 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -58.81 87.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 70.02 110.918 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.644 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 8.8 t -138.3 42.12 0.57 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 74.24 111.122 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.74 80.96 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 70.51 112.356 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -144.96 152.74 40.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.12 111.115 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.5 mt -144.66 110.06 5.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.897 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -82.84 -27.53 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.902 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -56.64 -26.71 56.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -109.12 32.07 5.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.882 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -129.17 156.92 21.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 70.34 112.506 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.0 97.42 2.5 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 74.42 112.489 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -111.31 148.34 33.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.894 0.378 . . . . 74.34 110.916 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -144.28 83.19 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.15 110.907 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -80.27 -26.62 38.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.2 110.868 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.7 t -84.43 -19.95 32.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.848 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.86 -24.06 48.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 61.52 110.944 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 21.8 pt -59.56 -24.05 27.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 62.41 111.146 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.3 mt -134.46 159.21 73.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 54.34 110.877 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -49.68 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.635 2.224 . . . . 62.03 112.377 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER 178.72 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 54.11 110.845 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 53.8 Cg_endo -69.71 -171.83 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.679 2.253 . . . . 71.52 112.359 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.0 mp 57.32 75.32 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 64.33 110.914 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -153.9 69.69 6.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 65.43 110.923 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 81.26 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.679 2.252 . . . . 63.23 112.387 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.6 t -80.04 -25.24 40.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 73.42 111.123 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -58.59 -32.19 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 70.31 110.914 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -70.79 -28.72 64.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 t -90.39 48.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.854 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.15 -27.68 69.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 71.23 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.422 HD12 HD23 ' A' ' 47' ' ' LEU . 9.3 tp -52.51 -29.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.22 111.127 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -53.3 -31.67 45.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.893 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.34 -44.73 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 72.55 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD23 HD12 ' A' ' 44' ' ' ILE . 19.2 tp -54.49 -29.81 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 64.11 110.89 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.9 tt -65.99 -42.25 90.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.11 110.894 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -57.92 -27.98 63.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 72.22 110.902 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -92.89 -34.19 13.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.879 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -34.82 73.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 73.03 110.88 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.92 -31.25 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 64.4 111.122 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.4 m -60.32 -32.06 70.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 70.41 111.126 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.52 -28.96 17.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.35 110.949 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.17 -26.77 68.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 70.12 111.103 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -71.09 -27.91 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 63.34 110.848 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.14 -25.36 66.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 72.11 111.108 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.48 -21.39 64.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 61.21 112.514 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -61.96 -33.16 73.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.848 0.356 . . . . 43.24 110.874 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.6 mtt -77.7 -32.66 53.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.54 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -28.23 59.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.31 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -59.45 -39.6 84.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 52.51 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -65.46 -41.21 93.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.453 . . . . 73.33 110.902 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.16 -146.68 13.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.498 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.809 0.338 . . . . 74.12 110.875 -179.859 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.771 0.238 . . . . 64.43 112.349 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 71.1 mtt180 -66.45 -63.4 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 63.13 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -116.96 81.95 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.904 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.596 ' O ' HG13 ' A' ' 7' ' ' VAL . 68.1 p -79.11 -18.0 54.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 72.42 111.117 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ptt-85 -73.51 -11.65 60.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.871 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -72.33 -9.14 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 61.12 110.919 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 4' ' ' THR . 18.8 m -50.5 -30.31 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 63.41 111.108 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -51.64 -30.59 22.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 73.22 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.56 -28.46 32.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.088 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -79.81 -32.02 40.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.902 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.68 -27.63 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 73.45 111.127 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -68.11 -26.53 65.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.888 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -54.97 -30.23 58.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 64.4 110.905 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ptm -118.65 119.36 34.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.2 110.927 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.41 83.57 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.02 110.924 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.77 87.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 70.24 110.9 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.637 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 4.6 p -145.68 42.15 0.32 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.56 0.695 . . . . 61.42 111.135 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.1 Cg_endo -69.72 143.15 50.14 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.672 2.248 . . . . 54.21 112.356 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.618 ' C ' HD13 ' A' ' 20' ' ' LEU . 19.9 p -128.12 148.05 50.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 72.34 111.098 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 19' ' ' THR . 0.0 OUTLIER -156.25 27.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 62.42 110.961 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -59.83 -31.04 69.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.32 110.892 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.1 p90 -57.42 -27.44 62.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 62.03 110.933 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -96.39 31.11 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 74.01 110.888 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.26 -168.08 29.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.748 . . . . 72.3 112.461 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 168.83 157.65 11.79 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.714 -0.755 . . . . 51.12 112.478 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -123.51 165.41 17.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 61.44 110.861 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -103.47 91.99 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 53.42 110.915 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -79.44 -26.35 41.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.852 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 m -55.03 -31.6 61.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.839 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -63.55 -27.88 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.483 . . . . 72.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG22 HD12 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -61.51 -26.17 38.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 31.33 111.123 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD12 HG22 ' A' ' 31' ' ' ILE . 2.3 mp -80.59 160.64 66.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.578 0.704 . . . . 61.24 110.906 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -171.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 71.32 112.336 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.5 t -168.66 72.01 0.79 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.722 . . . . 45.23 110.835 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -171.85 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.642 2.228 . . . . 64.32 112.393 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 HD23 ' HD3' ' A' ' 38' ' ' PRO . 2.0 tt -166.91 117.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 61.35 110.896 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -169.24 71.76 0.71 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.535 0.683 . . . . 71.34 110.894 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.504 ' HD3' HD23 ' A' ' 36' ' ' LEU . 53.8 Cg_endo -69.83 152.96 69.08 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.654 2.236 . . . . 73.03 112.32 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.2 p -84.29 2.06 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.102 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.5 tttm -63.07 -26.1 68.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 63.02 110.936 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -58.57 -25.99 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.899 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 p 51.77 38.28 22.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 63.24 110.836 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -54.46 -27.92 40.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 75.44 110.84 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.677 ' O ' HD23 ' A' ' 47' ' ' LEU . 76.2 mt -67.87 -29.43 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 65.35 111.092 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' O ' HD13 ' A' ' 48' ' ' LEU . 43.2 mm-40 -85.64 -17.58 35.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.898 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -57.61 -23.31 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.873 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 44' ' ' ILE . 1.4 pp -60.78 -19.03 58.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 61.21 110.895 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 45' ' ' GLU . 8.4 mp -63.73 -16.29 60.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.901 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -58.55 -22.17 54.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 74.34 110.881 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -77.39 -12.58 59.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.921 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -94.47 37.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.12 110.942 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.601 HG12 ' H ' ' A' ' 54' ' ' LEU . 40.5 t -51.36 143.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 64.25 111.145 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.7 m -51.36 -30.1 17.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 63.21 111.156 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.601 ' H ' HG12 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -89.75 -27.85 19.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 74.35 110.941 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.52 -27.22 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 64.15 111.12 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -52.17 -30.1 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.878 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.18 -28.12 38.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.086 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.47 -22.42 56.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.11 112.484 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -56.88 -26.38 58.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.368 . . . . 70.11 110.898 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -52.6 -33.2 45.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.858 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -54.63 -29.6 52.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 61.24 110.912 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -60.98 -42.34 98.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.95 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -52.25 -30.01 25.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.946 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.14 78.52 0.98 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.769 -0.729 . . . . 62.44 112.508 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 75.23 110.894 -179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.768 0.237 . . . . 65.15 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -107.79 108.53 19.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 62.43 110.883 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -149.88 -178.97 6.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 73.22 110.866 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.2 m -66.16 -25.19 66.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 62.42 111.138 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -52.07 -30.9 27.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.11 110.85 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -120.75 95.17 4.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.913 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.41 -31.44 8.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.23 111.141 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' VAL . 84.1 m-85 -53.53 -38.43 63.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 65.5 110.884 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.54 -25.42 60.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 60.32 111.12 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -55.5 -26.22 41.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.01 110.904 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.9 p -53.05 -30.71 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 71.54 111.14 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -32.42 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 75.53 110.876 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.87 -34.03 62.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 75.44 110.927 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.5 ttt -64.15 96.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.412 ' O ' HG22 ' A' ' 17' ' ' THR . 3.5 t80 -127.28 -46.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 73.4 110.909 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -58.86 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 73.41 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.628 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t -137.94 42.1 0.58 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.55 0.69 . . . . 74.21 111.14 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.75 -171.17 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 44.41 112.356 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -51.86 113.77 1.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 65.31 111.162 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.95 -48.83 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 71.31 110.928 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 tttt -88.05 8.59 25.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 71.11 110.909 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -77.87 -3.69 42.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 71.22 110.901 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -71.55 -28.89 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.829 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.04 105.47 0.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 54.24 112.549 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.37 -25.67 25.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 43.44 112.435 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -99.74 171.18 8.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.918 0.39 . . . . 65.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 52.18 36.34 18.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 71.23 110.843 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -79.2 -26.39 42.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 65.44 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -84.34 2.52 39.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 72.14 110.851 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.07 68.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 75.3 110.943 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.4 mp -79.15 -25.59 12.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.04 111.149 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 mp -80.48 160.71 66.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.628 0.728 . . . . 70.24 110.919 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -172.83 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.763 2.308 . . . . 74.03 112.308 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.3 OUTLIER 179.6 -61.03 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.662 0.744 . . . . 73.14 110.852 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 34' ' ' SER . 53.4 Cg_endo -69.82 175.35 8.27 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.612 2.208 . . . . 64.32 112.341 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.61 179.02 4.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.929 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -170.67 73.36 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.581 0.705 . . . . 43.02 110.903 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 119.79 6.68 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.657 2.238 . . . . 50.5 112.359 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.8 t -83.04 -28.97 29.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.144 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -53.14 -33.32 51.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.906 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -67.34 -33.63 75.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 70.22 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 t -59.99 114.47 2.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 61.5 110.868 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -72.09 -27.69 62.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 64.53 110.915 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.6 mt -53.83 -31.37 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.117 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -54.36 -35.58 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.874 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -80.27 -26.41 38.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 75.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.26 -26.14 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 71.53 110.939 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.5 tp -56.01 -25.3 43.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 63.52 110.922 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -55.59 -26.02 41.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 60.4 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -29.54 25.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.45 110.903 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.3 tptt -95.66 34.59 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.914 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 p -86.59 -27.28 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 64.34 111.153 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 86.8 m -56.45 -25.23 50.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 70.41 111.192 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.0 tp -52.49 -29.94 27.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.927 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.07 -37.05 47.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 73.02 111.094 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.18 -32.92 74.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.31 110.855 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.03 -26.33 36.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 51.13 111.1 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -56.14 -26.03 48.58 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 43.42 112.522 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.34 -29.87 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 73.41 110.909 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.5 ttm -57.5 -30.21 64.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 70.33 110.846 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -57.19 -43.99 83.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 71.24 110.874 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -58.03 -55.07 39.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 61.12 110.93 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -57.38 -26.29 60.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.42 110.908 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.52 -98.68 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 74.4 112.49 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 73.35 110.896 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.808 0.253 . . . . 75.44 112.359 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -95.58 158.8 15.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.895 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -109.5 88.39 2.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 61.41 110.889 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -79.19 -21.01 46.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 61.5 111.141 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -58.31 -25.27 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 65.13 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.5 -7.38 52.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 63.22 110.881 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 p -50.57 -30.42 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.33 111.136 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.524 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.6 p90 -54.33 -30.89 52.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 74.11 110.85 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.99 -20.93 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.1 111.109 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -78.03 -21.9 50.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 64.32 110.894 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 8' ' ' PHE . 17.0 m -51.42 -30.03 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.31 111.125 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -33.32 29.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 55.34 110.954 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -55.05 -36.68 65.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.882 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 10.3 ptm -134.75 108.23 7.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 73.35 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -114.44 -30.6 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.945 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -58.81 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.088 -0.505 . . . . 75.43 110.897 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.631 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 2.9 m -139.47 42.15 0.52 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.58 0.705 . . . . 74.32 111.105 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.8 131.53 21.38 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 54.44 112.373 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 p -132.68 125.69 30.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 63.52 111.093 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 23.6 tp -106.38 -55.81 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 64.01 110.879 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -84.7 -28.17 26.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.903 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -30.59 71.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.911 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -96.44 30.02 2.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 62.14 110.908 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.77 148.29 16.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.713 -0.756 . . . . 72.34 112.481 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 165.98 101.2 0.15 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.747 -0.739 . . . . 71.11 112.514 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -122.68 136.92 55.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 72.42 110.849 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -124.84 134.18 52.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 64.31 110.836 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -73.62 -26.4 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.4 p -81.53 -11.85 59.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 63.14 110.857 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.33 -27.16 34.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 62.01 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -70.54 -30.36 42.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.04 111.121 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tp -140.78 73.75 27.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.645 0.736 . . . . 71.43 110.942 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -85.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 51.32 112.314 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 t -169.51 72.84 0.69 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.678 0.751 . . . . 70.24 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 140.32 42.23 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 72.55 112.314 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 37' ' ' LYS . 1.1 tt -155.46 142.69 19.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 62.52 110.917 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' N ' HD23 ' A' ' 36' ' ' LEU . 8.5 pttm -147.22 157.64 45.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.601 0.715 . . . . 75.13 110.88 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 141.35 44.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.651 2.234 . . . . 62.22 112.317 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -84.0 -25.2 30.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.14 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -54.06 -31.03 50.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.892 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 44' ' ' ILE . 7.3 ttp85 -75.44 -30.06 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.852 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 t -62.22 -25.1 67.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 51.34 110.886 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -52.33 -29.62 24.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 71.23 110.886 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 41' ' ' ARG . 16.9 tt -51.58 -30.09 10.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 51.22 111.165 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -52.91 -30.17 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 60.24 110.899 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.39 -26.38 52.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.42 110.897 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.4 tp -61.32 -18.87 60.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 63.33 110.853 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.5 mt -64.31 -16.03 61.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 73.21 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.3 p90 -57.73 -23.03 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.51 110.906 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.24 -20.07 52.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.35 110.878 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -94.85 37.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.936 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 49' ' ' PHE . 12.8 m -51.32 137.62 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 72.15 111.166 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.2 t -86.59 -25.59 24.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 60.12 111.125 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 14.2 tp -60.85 -31.34 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 75.42 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.4 -26.1 60.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.04 111.135 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.89 -26.8 59.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 64.31 110.864 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.43 67.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 53.22 111.097 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.36 -24.7 52.83 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 45.31 112.495 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -60.86 -26.74 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 71.14 110.905 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.7 ptm -52.52 -30.88 32.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.827 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -52.12 -34.81 46.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.43 . . . . 74.02 110.89 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.63 -42.14 52.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 64.04 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.08 -27.86 69.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.927 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.17 -65.05 3.82 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 63.02 112.481 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 72.12 110.924 -179.85 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.155 0 CA-C-O 120.838 0.266 . . . . 71.22 112.361 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.18 169.42 23.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.875 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -137.62 27.2 2.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 55.1 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -57.85 -33.75 68.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.159 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -84.33 -28.72 26.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 73.45 110.887 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.44 55.48 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 52.01 110.879 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.4 t -50.43 -32.03 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.43 111.091 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.559 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.4 t80 -52.22 -29.97 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.14 110.874 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.09 -26.24 36.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 63.25 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -53.12 -29.06 28.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.03 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' PHE . 29.1 m -52.64 -28.97 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 63.22 111.149 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -55.88 -26.91 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 74.42 110.934 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -54.71 -27.22 39.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 64.44 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttt -84.06 106.13 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.43 110.906 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -120.89 42.68 2.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 63.55 110.915 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -55.28 -25.31 33.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.895 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.627 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.7 OUTLIER 65.1 42.59 0.36 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.6 0.714 . . . . 64.52 111.102 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.8 Cg_endo -69.73 86.57 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.756 2.304 . . . . 61.55 112.321 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -142.01 73.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 75.02 111.166 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tt -87.5 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.92 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -87.87 7.76 29.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.922 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -68.36 -27.53 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.916 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -72.92 -29.65 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 71.23 110.856 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.6 98.66 2.21 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 44.45 112.468 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.2 119.63 0.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 62.15 112.465 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -111.53 169.4 8.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 61.24 110.934 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -123.08 36.42 4.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.53 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -67.81 -44.78 76.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 73.52 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 96.4 p -84.35 2.62 39.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.1 110.851 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.2 -26.56 61.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 72.14 110.911 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.9 pt -123.23 24.42 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 71.23 111.116 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 tp -80.79 138.9 50.18 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.567 0.699 . . . . 55.34 110.954 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -85.79 0.0 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.713 2.276 . . . . 62.55 112.325 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 t 57.31 72.13 0.98 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.715 0.769 . . . . 70.42 110.865 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -177.38 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 52.31 112.334 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.577 ' O ' HD12 ' A' ' 36' ' ' LEU . 1.1 pp -114.36 152.19 31.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 61.31 110.912 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -174.19 73.38 0.34 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.7 . . . . 74.52 110.908 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.15 66.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 72.14 112.369 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -21.91 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 63.0 111.131 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -59.32 -22.34 61.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.01 7.45 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.852 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.2 m -63.65 124.44 21.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 52.5 110.84 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -74.23 -28.09 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 63.31 110.92 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' HA ' HD23 ' A' ' 47' ' ' LEU . 65.3 mt -60.91 -48.2 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 71.45 111.128 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -64.69 -15.56 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 51.44 110.881 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -85.63 -35.18 21.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.52 110.864 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 44' ' ' ILE . 1.1 pp -53.93 -29.41 42.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.897 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.28 -30.9 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 73.12 110.896 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -71.28 -40.94 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.03 110.904 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -47.83 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 74.22 110.874 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -66.7 -28.09 68.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 70.14 110.911 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.6 t 61.67 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 75.2 111.089 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -68.35 -25.67 65.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 71.33 111.152 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -53.85 -28.52 36.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 72.53 110.936 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.97 21.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 33.54 111.099 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -55.71 -39.26 70.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 43.25 110.905 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.49 64.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 54.15 111.101 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.15 -40.1 30.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 71.21 112.501 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -58.51 -30.66 67.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.353 . . . . 65.21 110.876 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 23.0 tpp -59.07 -36.73 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.852 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -32.01 64.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.51 110.896 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -78.23 -26.39 47.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 73.14 110.95 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -52.15 -33.45 40.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 62.43 110.937 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.18 133.93 52.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 71.44 112.495 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.861 0.363 . . . . 64.41 110.862 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.788 0.245 . . . . 54.01 112.351 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -88.27 100.46 13.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 74.32 110.845 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -59.08 143.41 48.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 60.43 110.885 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.1 m -76.02 -32.68 59.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 61.04 111.118 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -84.24 -46.06 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 64.05 110.876 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -99.99 61.33 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 71.55 110.878 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -50.6 -30.94 8.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 71.14 111.134 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.717 ' O ' HG22 ' A' ' 11' ' ' VAL . 64.8 m-85 -54.11 -30.65 49.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.845 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -20.51 55.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.02 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -53.44 -32.79 51.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.883 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 8' ' ' PHE . 18.0 m -69.32 -30.36 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 71.3 111.138 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -65.41 -28.37 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 61.32 110.879 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.86 -27.56 43.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 72.22 110.887 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 14.1 mmt -95.53 -41.04 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.34 110.886 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -114.29 82.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 73.11 110.975 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.24 -25.4 33.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.34 110.857 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.634 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER 65.07 42.6 0.36 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.594 0.711 . . . . 74.1 111.135 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.78 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.257 . . . . 50.32 112.345 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.6 m -116.91 117.09 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 65.34 111.144 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.91 41.51 3.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 75.15 110.886 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.0 tttm -88.08 8.76 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.871 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -55.81 -24.6 37.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 73.21 110.903 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -71.61 -26.62 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 61.3 110.852 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.88 71.76 2.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 60.14 112.479 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -158.41 91.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 31.12 112.503 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -77.64 144.82 37.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 72.44 110.862 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -118.23 139.03 51.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 71.11 110.881 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -80.06 -27.65 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 61.3 110.883 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.9 m -84.46 3.04 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 70.33 110.814 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -96.21 -31.01 13.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.31 110.88 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tp -91.2 -30.45 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 75.14 111.175 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD23 ' HD2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -96.0 160.66 29.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 73.13 110.888 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.437 ' HD2' HD23 ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.73 124.46 11.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.703 2.269 . . . . 64.21 112.328 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.82 160.4 46.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.701 0.762 . . . . 63.24 110.83 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -48.2 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.637 2.225 . . . . 74.35 112.358 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mt -103.03 129.53 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 61.44 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.67 153.72 77.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.577 0.703 . . . . 62.22 110.911 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.77 32.98 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.665 2.243 . . . . 72.32 112.363 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.91 2.04 44.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 53.13 111.105 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -78.48 -55.79 4.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 73.25 110.892 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 ptt85 -92.25 7.41 42.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.9 t -77.04 83.15 3.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.849 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.3 p90 -70.96 -26.4 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 63.45 110.866 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.8 HG22 HD23 ' A' ' 47' ' ' LEU . 3.8 mp -52.7 -31.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.145 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -55.19 -26.44 39.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.875 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -59.68 -20.99 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 62.4 110.9 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.8 HD23 HG22 ' A' ' 44' ' ' ILE . 1.7 pp -60.99 -18.83 59.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 74.1 110.933 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.72 -16.01 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 65.25 110.893 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -20.3 54.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 65.02 110.855 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' HA ' HG23 ' A' ' 53' ' ' THR . 49.5 t30 -85.7 2.95 43.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.34 110.924 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -58.25 -36.85 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 72.35 110.879 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.678 HG13 ' CA ' ' A' ' 57' ' ' ALA . 95.2 t -151.87 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.136 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 50' ' ' ASN . 2.2 p -88.66 -79.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 74.01 111.13 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 87.9 mt -109.59 -75.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 63.51 110.875 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -22.22 20.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 51.14 111.102 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.46 -27.98 4.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' CA ' HG13 ' A' ' 52' ' ' VAL . . . -51.5 -32.57 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 53.14 111.158 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.13 -28.79 55.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 72.31 112.486 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -66.78 -26.85 67.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 63.11 110.892 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.2 tpp -56.0 -26.34 48.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.928 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -65.79 -18.78 65.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 62.04 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -6.04 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.914 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -51.83 -30.28 22.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.943 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.51 -97.43 0.36 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 64.2 112.48 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 72.54 110.896 -179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.413 ' H2 ' ' H ' ' A' ' 2' ' ' ARG . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.768 0.237 . . . . 74.11 112.341 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.413 ' H ' ' H2 ' ' A' ' 1' ' ' PRO . 82.7 mtt180 -116.07 -54.52 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.928 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -117.41 26.71 9.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 73.34 110.844 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -75.62 -40.53 56.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 60.42 111.143 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -53.2 -41.67 65.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.902 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 53.97 46.3 25.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.862 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.43 -31.45 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -57.44 -42.75 83.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 72.13 110.914 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.84 -29.02 61.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 65.23 111.05 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.05 -28.01 69.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.33 110.878 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.81 -36.66 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 71.13 111.167 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -75.81 -33.08 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 65.23 110.889 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -54.81 -34.99 63.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 74.23 110.934 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 32.3 mtt -90.45 64.4 5.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 62.21 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -127.57 29.27 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.21 110.908 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -58.9 87.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 73.12 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.629 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 37.9 p -139.74 42.09 0.5 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.605 0.716 . . . . 74.14 111.149 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.9 Cg_endo -69.79 86.58 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.663 2.242 . . . . 74.45 112.358 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 p -151.04 114.04 4.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 62.01 111.145 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.95 120.61 41.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 71.11 110.922 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -64.94 -27.35 68.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 74.33 110.877 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -52.73 -32.98 46.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.925 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -73.12 -39.4 65.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 73.4 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.43 -157.65 28.76 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 53.04 112.488 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.48 160.24 9.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.768 . . . . 43.43 112.472 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -108.18 162.49 14.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 64.15 110.865 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -111.29 143.88 41.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 43.03 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -72.31 -27.36 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 60.25 110.871 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -53.27 -33.93 55.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.824 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -62.49 -35.1 78.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 61.24 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.0 mt -76.61 -42.12 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.44 111.122 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.57 159.63 13.65 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.544 0.688 . . . . 70.24 110.964 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -85.73 0.0 OUTLIER 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.72 2.28 . . . . 75.14 112.333 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 p -177.88 69.24 0.21 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 71.31 110.866 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 126.63 13.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 74.34 112.307 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -96.77 117.82 31.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.927 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 136.22 22.46 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 73.53 110.868 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.1 3.59 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.668 2.246 . . . . 72.31 112.352 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 t -74.56 -25.22 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.164 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -62.78 -27.27 69.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.903 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -89.21 7.37 35.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -53.2 130.15 33.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 53.31 110.824 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -77.57 -30.37 52.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 73.33 110.869 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 pt -56.24 -25.14 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.12 111.151 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -57.3 -30.49 64.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.925 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.68 -34.57 69.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 65.23 110.891 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -42.03 98.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 61.13 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.0 mp -55.63 -41.64 73.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 72.53 110.948 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -80.11 -30.95 39.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 63.41 110.865 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -65.61 -26.45 67.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.45 110.869 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -96.1 36.28 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 70.23 110.86 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 54' ' ' LEU . 8.3 p -60.9 133.87 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 65.45 111.142 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.6 p -84.43 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.178 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' H ' HG22 ' A' ' 52' ' ' VAL . 42.6 mt -53.37 -29.84 36.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 71.43 110.915 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.44 -27.5 56.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 64.12 111.104 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -77.46 -26.47 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.874 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.24 -35.46 64.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 51.03 111.068 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.15 -31.87 56.57 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 74.24 112.455 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -67.72 -26.53 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 73.45 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -52.16 -31.2 30.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 62.21 110.915 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -60.85 -36.97 80.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.915 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.28 -26.74 42.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 65.2 110.926 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -53.81 -34.27 58.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 73.11 110.947 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -91.44 115.28 4.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.705 -0.759 . . . . 75.43 112.5 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.803 0.335 . . . . 73.12 110.894 -179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.817 0.257 . . . . 74.43 112.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.22 159.14 30.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.52 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -98.28 28.64 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.91 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.8 m -66.25 -25.59 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 70.31 111.131 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -52.23 -31.31 31.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 71.5 110.88 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -81.23 63.04 5.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.12 110.896 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.4 -37.3 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 74.3 111.154 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 11' ' ' VAL . 85.3 t80 -52.1 -32.73 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 44.45 110.838 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.65 -27.82 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 64.44 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -52.15 -30.33 26.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 8' ' ' PHE . 61.9 t -57.84 -61.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 75.11 111.112 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -71.81 -31.78 66.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 53.4 110.875 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -54.89 -29.04 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 51.23 110.928 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 17.1 ttp -56.23 158.8 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.859 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.28 48.35 4.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 73.15 110.952 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 18' ' ' PRO . 13.8 mtmm -56.04 -21.87 24.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 63.0 110.887 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 7.5 t 39.95 50.17 3.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.576 0.703 . . . . 75.12 111.158 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.5 Cg_endo -69.78 -179.31 2.83 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.676 2.251 . . . . 54.14 112.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 141.41 48.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 73.45 111.175 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.66 110.15 11.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 71.14 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -59.33 -40.48 86.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.893 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -62.84 -26.65 68.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 74.25 110.892 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -75.24 -32.11 61.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.52 167.03 1.55 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 60.15 112.45 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.63 -175.03 40.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 74.15 112.525 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -114.37 172.64 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 63.43 110.894 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.5 106.37 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.872 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.698 ' O ' HG22 ' A' ' 31' ' ' ILE . 97.6 m-85 -76.87 -29.23 55.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 74.34 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.58 -21.51 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.03 110.839 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.25 -25.02 46.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 72.04 110.883 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.698 HG22 ' O ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -94.86 23.14 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 71.33 111.166 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -115.02 73.41 3.24 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.575 0.702 . . . . 73.22 110.933 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -172.98 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.717 2.278 . . . . 73.21 112.377 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.45 160.39 28.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.681 0.753 . . . . 71.33 110.862 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.67 6.45 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 62.44 112.362 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.9 mt 62.83 88.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.929 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 66.78 38.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.561 0.696 . . . . 62.31 110.892 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 86.95 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.704 2.269 . . . . 64.5 112.346 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.7 m -87.28 -69.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 71.22 111.178 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -88.4 -62.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 73.1 110.927 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -104.87 -58.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 71.02 110.895 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.54 -169.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 62.14 110.839 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -75.68 -30.22 59.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 72.32 110.849 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' HD13 ' A' ' 47' ' ' LEU . 9.2 pt -58.56 -24.11 24.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 73.23 111.152 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.529 ' O ' HD22 ' A' ' 48' ' ' LEU . 1.8 mt-10 -59.37 -21.79 60.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 72.32 110.863 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.26 -17.26 58.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 44' ' ' ILE . 8.6 mp -60.24 -18.76 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 71.22 110.933 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD22 ' O ' ' A' ' 45' ' ' GLU . 1.2 pt? -61.37 -18.0 56.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 75.35 110.929 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' N ' HD23 ' A' ' 48' ' ' LEU . 0.6 OUTLIER -62.06 -17.9 58.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.837 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -102.2 -20.45 14.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.9 tttp -95.78 29.27 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 72.34 110.863 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 48' ' ' LEU . 18.5 m -141.52 25.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 60.42 111.135 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.8 p -85.95 -61.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 73.33 111.14 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -57.26 -26.44 60.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 75.51 110.941 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -51.84 -46.91 64.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 44.1 111.07 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.59 -27.21 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 60.42 110.858 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.76 -33.5 34.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.53 111.092 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.01 -22.04 74.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 73.23 112.489 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.26 -26.99 61.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.364 . . . . 74.24 110.855 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.8 tpt -78.05 -35.51 49.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.887 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.6 ttpt -76.25 -26.25 55.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.893 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.41 -54.63 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 74.31 110.87 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -66.62 -38.24 86.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.917 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.76 -142.67 35.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 24.1 112.522 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 64.22 110.872 -179.903 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.764 0.235 . . . . 74.42 112.372 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -80.57 -61.17 2.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -141.13 158.62 43.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.911 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.0 p -75.19 -27.71 59.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 55.24 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -52.96 -30.89 37.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 74.11 110.889 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -63.22 102.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 75.25 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 60.2 t -50.35 -31.74 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.22 111.112 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -53.46 -34.43 57.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 110.865 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.18 -40.21 78.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.03 111.108 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -55.11 -31.32 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 75.24 110.921 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.8 t -66.13 -35.03 74.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 73.13 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.35 -30.51 70.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.879 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -54.71 -27.64 42.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.893 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 24.7 mtt -106.5 68.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 74.53 110.865 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' O ' HG22 ' A' ' 17' ' ' THR . 69.8 t80 -53.34 -28.74 30.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.22 110.945 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.82 86.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 45.55 110.939 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.636 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 9.0 t -139.09 42.11 0.53 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.589 0.709 . . . . 72.23 111.162 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 17' ' ' THR . 54.0 Cg_endo -69.79 -37.33 9.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 70.41 112.316 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 p 49.89 34.82 8.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.31 111.168 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tp -124.81 28.45 6.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 61.34 110.913 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -70.47 -28.1 64.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.898 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -55.55 -34.86 65.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.887 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -111.76 26.59 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.908 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.46 100.37 0.66 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 64.43 112.472 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.58 -153.24 52.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 53.15 112.524 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -60.6 151.97 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 73.14 110.877 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -136.08 -52.57 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 72.55 110.909 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -58.06 -26.23 62.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 64.24 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -55.21 -26.67 40.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 72.54 110.871 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -55.13 -32.05 61.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 63.43 110.875 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -26.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 75.54 111.101 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.66 73.17 2.86 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 75.22 110.936 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.16 31.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.244 . . . . 70.14 112.329 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.0 t -172.73 68.58 0.39 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.723 0.773 . . . . 64.44 110.843 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.614 ' C ' HD13 ' A' ' 36' ' ' LEU . 54.2 Cg_endo -69.75 169.07 19.77 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.664 2.243 . . . . 64.23 112.36 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD13 ' C ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -156.4 31.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 70.52 110.936 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.1 160.68 2.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.586 0.707 . . . . 54.54 110.882 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.7 54.82 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 72.2 112.341 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.1 m -85.2 2.04 45.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 73.12 111.116 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.5 mmmt -56.66 -29.24 62.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 41.44 110.928 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -60.53 -26.64 67.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.904 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t -61.59 169.91 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 54.12 110.884 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -75.19 -26.57 59.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 65.4 110.905 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 pp -51.84 -30.15 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -52.34 -37.6 56.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -78.71 -26.93 44.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 75.02 110.865 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.47 -40.61 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.909 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.53 -28.74 69.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 63.23 110.95 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -80.4 -30.96 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -57.05 -28.33 62.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 71.13 110.932 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -60.9 -28.81 69.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 63.12 110.924 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 52' ' ' VAL . 13.0 p 39.55 38.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 50.33 111.138 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.68 -26.02 67.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 64.25 111.154 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.532 ' O ' HD23 ' A' ' 54' ' ' LEU . 6.3 tt -55.36 -26.79 43.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.7 -31.62 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 71.22 111.157 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.94 -33.78 74.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 70.41 110.838 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.81 -26.86 68.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.25 111.101 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.99 -20.93 60.07 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 23.5 112.512 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -64.31 -29.3 70.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.81 0.338 . . . . 73.51 110.86 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -54.56 -27.29 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 64.31 110.886 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -53.27 -31.8 45.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.418 . . . . 44.45 110.848 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -55.07 -44.07 74.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.45 110.876 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -65.24 -29.84 70.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 74.54 110.923 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -52.6 165.45 1.44 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 50.44 112.504 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 54.54 110.871 -179.849 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.79 0.246 . . . . 74.24 112.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -84.47 -28.1 27.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.891 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.21 93.52 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.921 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 m -66.1 -32.3 73.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 74.44 111.151 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 19.5 mtt180 -72.96 -37.89 66.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 70.34 110.855 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 63.42 160.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.866 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.9 p -50.4 -31.0 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 71.55 111.144 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 11' ' ' VAL . 36.2 t80 -51.97 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 5' ' ' ARG . . . -86.24 -30.68 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.087 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -60.41 -42.6 96.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 73.44 110.883 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 8' ' ' PHE . 28.9 m -59.35 -25.0 29.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 62.33 111.16 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -55.61 -25.88 41.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.908 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -54.61 -27.28 38.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 62.15 110.847 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 43.7 mtm -143.83 25.15 1.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 75.45 110.911 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -117.07 -27.01 6.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.3 110.907 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -58.83 87.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 45.11 110.845 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.526 ' N ' ' HD2' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -66.57 -58.41 10.11 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.593 0.711 . . . . 63.54 111.145 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.79 -171.67 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.257 . . . . 73.34 112.346 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.42 134.78 46.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.139 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' HB2' ' A' ' 23' ' ' PHE . 0.3 OUTLIER -70.87 100.37 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 75.13 110.89 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -80.97 -26.28 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.916 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -66.23 -26.33 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 74.11 110.96 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' HB2' HD22 ' A' ' 20' ' ' LEU . 2.8 t80 -72.08 -39.25 69.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 74.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.9 149.49 20.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 71.1 112.492 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -167.15 115.76 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.521 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -123.15 132.86 54.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 73.13 110.855 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -121.9 68.94 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 73.34 110.88 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -78.66 -24.65 45.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 70.42 110.916 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 p -54.61 -27.3 38.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 63.55 110.826 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -52.48 -38.56 59.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 53.52 110.959 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.42 -30.11 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.55 111.115 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mp -114.12 72.87 2.36 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.595 0.712 . . . . 72.34 110.885 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.91 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.62 2.214 . . . . 52.3 112.378 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.44 160.51 36.35 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.701 0.762 . . . . 64.34 110.86 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -175.28 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 52.41 112.355 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -119.98 162.05 19.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -89.51 158.06 46.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 75.24 110.93 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 124.0 10.64 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.646 2.23 . . . . 74.45 112.341 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.0 m -79.07 -24.13 43.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 64.35 111.127 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -62.33 -25.07 67.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -26.7 63.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 70.21 110.872 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 24.1 p -52.96 119.95 5.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 64.12 110.873 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -69.83 -25.31 63.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 74.22 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 32.0 pt -54.15 -27.19 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 61.31 111.106 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -57.92 -26.29 62.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.04 110.893 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.0 -56.74 12.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.118 -0.492 . . . . 75.03 110.872 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 ' HA ' HG21 ' A' ' 52' ' ' VAL . 4.3 pp -77.28 -18.61 57.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.34 110.944 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.3 tp -86.59 -9.8 55.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 63.41 110.961 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -50.65 -64.9 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.13 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -111.83 -73.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.14 110.892 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -144.79 -56.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.474 . . . . 75.2 110.873 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 47' ' ' LEU . 89.8 t 35.19 80.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 75.12 111.164 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.3 m -86.27 -24.91 25.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 63.01 111.166 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 57' ' ' ALA . 9.2 mp -51.83 -30.54 23.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.887 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.12 -36.71 63.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 65.15 111.091 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -96.71 -26.52 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.894 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' A' ' 54' ' ' LEU . . . -61.75 -18.74 60.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.14 111.078 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.58 -14.89 63.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 42.24 112.505 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -54.7 -26.32 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 73.25 110.871 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -28.84 51.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.481 . . . . 63.03 110.875 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -54.72 -31.1 57.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 63.14 110.912 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.83 -27.51 68.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -52.12 -38.74 58.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.22 110.92 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 58.57 -116.68 8.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.748 . . . . 70.11 112.508 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.824 0.345 . . . . 70.31 110.922 -179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.112 0 CA-C-O 120.785 0.244 . . . . 75.44 112.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.6 mtp85 -97.77 144.61 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 70.43 110.863 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -51.99 107.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 73.12 110.854 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.1 p -79.02 -23.45 44.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 71.11 111.161 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ttt85 -51.91 -44.94 64.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 71.45 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -55.54 129.4 38.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 61.34 110.84 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 41.6 t -50.34 -32.44 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 70.32 111.143 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -52.0 -30.4 25.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.37 -37.73 56.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.4 111.125 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.44 -53.15 52.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.04 110.926 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.03 -28.44 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 72.11 111.112 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -59.37 -46.4 88.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.89 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -54.92 -33.08 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.1 110.893 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 27.8 mmt -81.52 -179.4 7.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.861 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.69 84.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 71.33 110.915 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' O ' HG23 ' A' ' 17' ' ' THR . 55.3 tptt -58.11 -59.91 4.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 61.3 110.886 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.56 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 0.9 OUTLIER -161.91 46.43 0.19 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 54.33 111.152 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.4 Cg_endo -69.7 135.02 29.52 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.69 2.26 . . . . 62.44 112.356 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m 54.96 48.57 19.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 51.25 111.116 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.84 -175.86 4.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.904 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -88.1 8.68 25.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 64.42 110.925 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -75.4 -6.0 47.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 61.53 110.955 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 14.1 p90 -71.48 -25.37 62.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 65.44 110.896 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.57 116.67 4.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 70.42 112.487 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.7 68.02 1.55 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.698 -0.763 . . . . 55.43 112.503 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -122.32 135.43 54.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 74.31 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -161.04 177.82 9.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 62.11 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -54.4 -27.65 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 71.01 110.925 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.5 t -55.83 -26.19 45.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 63.41 110.873 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -55.21 -26.86 42.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 74.1 110.902 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' HB ' HD23 ' A' ' 32' ' ' LEU . 9.3 pt -117.07 -38.8 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 64.4 111.116 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -166.95 158.67 10.82 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.649 0.738 . . . . 53.41 110.867 179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -49.66 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.265 . . . . 72.02 112.342 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.471 ' CB ' ' CD ' ' A' ' 35' ' ' PRO . 0.5 OUTLIER 178.75 -61.69 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.661 0.743 . . . . 63.31 110.866 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.471 ' CD ' ' CB ' ' A' ' 34' ' ' SER . 54.0 Cg_endo -69.77 146.42 60.09 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.653 2.236 . . . . 70.41 112.335 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 32' ' ' LEU . 10.9 tp -174.94 126.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 71.23 110.957 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -133.49 72.65 74.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.574 0.702 . . . . 35.24 110.924 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 153.03 69.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.662 2.241 . . . . 72.23 112.361 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -84.7 -26.27 27.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 71.31 111.159 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -52.1 -31.26 29.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 53.32 110.905 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -61.34 -36.31 79.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 70.24 110.867 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -64.57 136.09 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 70.33 110.856 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -78.16 -32.28 50.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 71.11 110.897 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mm -61.6 -27.05 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 75.42 111.094 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -78.11 -26.5 48.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 72.35 110.895 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -52.78 -29.56 28.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 73.23 110.894 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -61.43 -40.05 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.938 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.9 tp -81.28 -26.0 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.55 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.56 -26.67 65.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 73.55 110.85 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -91.04 2.91 55.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.25 110.878 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -128.39 37.39 4.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 70.41 110.875 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.444 HG12 ' N ' ' A' ' 55' ' ' ALA . 38.4 t -92.41 108.87 20.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 75.24 111.121 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -78.22 -26.0 47.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 54.5 111.112 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -88.76 3.93 49.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 73.35 110.829 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' N ' HG12 ' A' ' 52' ' ' VAL . . . -52.38 -29.54 24.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 71.53 111.111 179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -55.8 -39.81 71.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 71.11 110.914 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.39 -27.91 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.42 111.101 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -52.46 -29.89 32.36 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 63.41 112.461 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -55.51 -31.23 61.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 51.5 110.863 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -75.77 -34.67 60.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 63.21 110.888 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -61.56 -31.98 72.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 63.45 110.939 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -54.27 -42.26 69.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 65.54 110.944 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -53.5 -38.98 64.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 72.21 110.896 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.67 54.25 4.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.761 -0.733 . . . . 74.44 112.546 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 72.15 110.881 -179.853 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.776 0.24 . . . . 62.11 112.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 ttp85 62.82 102.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.877 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -79.7 153.69 29.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.869 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 m -71.11 -25.47 62.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.481 . . . . 62.11 111.132 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -53.12 -37.67 61.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 74.42 110.886 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 52.46 58.81 5.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 62.1 110.909 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -50.41 -33.86 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 72.32 111.095 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.529 ' O ' HG12 ' A' ' 11' ' ' VAL . 13.0 t80 -53.66 -34.92 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.01 -24.09 51.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 44.24 111.052 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.48 -23.62 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 64.43 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' PHE . 13.8 p -54.15 -32.95 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.05 -22.73 36.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.887 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -54.47 -40.47 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 53.33 110.909 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 28.6 tpp -174.15 152.06 1.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 75.3 110.86 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.43 ' C ' ' HD3' ' A' ' 18' ' ' PRO . 5.9 t80 -130.72 59.23 1.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 70.51 110.954 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -68.78 64.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 73.33 110.867 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 ' N ' ' CD ' ' A' ' 18' ' ' PRO . 3.3 p 45.78 48.49 5.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.601 0.715 . . . . 64.21 111.167 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 17' ' ' THR . 53.7 Cg_endo -69.8 138.23 37.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.0 112.332 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.682 HG23 HD22 ' A' ' 20' ' ' LEU . 7.9 t -67.77 -19.97 65.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 43.25 111.115 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.682 HD22 HG23 ' A' ' 19' ' ' THR . 4.4 mm? -75.89 69.25 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 71.32 110.903 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -87.66 -24.52 23.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.907 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -51.98 -30.95 27.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.928 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 20' ' ' LEU . 21.3 m-85 -72.61 -36.76 68.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 54.35 110.87 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 134.8 21.54 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 62.4 112.53 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.97 130.5 2.85 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 74.04 112.467 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -121.64 162.19 21.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 74.01 110.905 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.06 137.95 31.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 71.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -64.04 -26.05 68.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 72.45 110.826 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 t -84.21 -11.77 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 74.14 110.892 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -97.95 -4.0 37.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 73.12 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 pt -116.12 24.63 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 72.21 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' HD12 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -108.56 158.27 34.4 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.583 0.706 . . . . 73.25 110.907 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.55 33.47 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.668 2.245 . . . . 74.43 112.348 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 84.2 p 47.69 68.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.707 0.765 . . . . 74.15 110.879 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.19 35.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.636 2.224 . . . . 64.35 112.362 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.96 100.19 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.906 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.33 73.16 13.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 75.15 110.882 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 106.88 1.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.701 2.267 . . . . 72.12 112.362 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -84.44 2.08 42.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 41.41 111.103 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -52.02 -31.4 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 72.34 110.892 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -100.52 -32.44 10.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.42 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m 53.32 68.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.852 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -26.96 49.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 65.53 110.864 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 pt -55.08 -26.56 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 72.33 111.14 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -58.16 -30.7 66.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.83 -56.64 18.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.05 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.75 -26.48 62.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 72.02 110.904 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.404 ' C ' HD23 ' A' ' 48' ' ' LEU . 10.5 tt -58.63 -44.37 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 72.12 110.911 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -70.56 -37.04 73.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.901 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -64.25 -27.51 69.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.884 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -125.48 35.47 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.892 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 55' ' ' ALA . 5.1 p -83.08 161.08 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 62.05 111.124 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 m -76.12 -33.1 59.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 45.13 111.131 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.5 pp -81.87 4.59 21.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 54.14 110.889 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.559 ' N ' HG13 ' A' ' 52' ' ' VAL . . . -50.79 -39.55 53.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.059 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.17 -26.26 21.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.883 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.07 -18.82 59.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 61.14 111.136 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -66.16 -14.95 62.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 61.11 112.479 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -55.33 -25.82 36.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 65.3 110.844 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.4 tpt -52.74 -29.54 27.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.22 110.887 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -53.7 -30.4 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 60.34 110.874 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -49.94 67.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 63.21 110.89 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -53.53 -42.8 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 65.11 110.919 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 170.86 178.85 41.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 72.44 112.479 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 73.22 110.93 -179.887 . . . . . . . . 0 0 . 1 stop_ save_